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1

Bai, Shi-Qiang, Lu Jiang, David James Young, and T. S. Andy Hor. "Hybrid 1,2,3-Triazole Supported CuII Complexes: Tuning Assembly and Weak Interaction-Driven Crystal Growth." Australian Journal of Chemistry 69, no. 4 (2016): 372. http://dx.doi.org/10.1071/ch15650.

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Two new dinuclear CuII complexes [Cu2Cl4(L1)2] (1) and [Cu2Cl4(L2)2] (2) (L1 = 2-((4-(2-(cyclopentylthio)ethyl)-1H-1,2,3-triazol-1-yl)methyl)pyridine; L2 = 2-((4-(pyridin-2-yl)-1H-1,2,3-triazol-1-yl)methyl)benzonitrile) were synthesised and characterised by single-crystal X-ray diffraction (XRD), powder XRD, thermogravimetric analysis, elemental analysis and IR measurements. The picolyl-triazole ligand L1 coordinates in a chelate-bridging mode forming a dinuclear structure 1. The more rigid pyridyl-triazole ligand L2 chelates only, generating a chloride-bridged dinuclear complex 2. Both crysta
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2

Canseco-González, Daniel, José Luis Rodríguez de la O, and José Enrique Herbert-Pucheta. "Combined XRD-paramagnetic 13C NMR spectroscopy of 1,2,3-triazoles for revealing copper traces in a Huisgen click-chemistry cycloaddition. A model case." Heterocyclic Communications 25, no. 1 (2019): 98–106. http://dx.doi.org/10.1515/hc-2019-0018.

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AbstractCopper-catalyzed Alkyne-Azide Cycloaddition (CuAAC) click chemistry robustness has been demonstrated over recent years to produce 1,2,3-triazoles with excellent yields at mild conditions with simple purification methods. However, the consequences of having copper paramagnetic traces in final products, which complicate spectroscopic assignments and can produce inaccurate conclusions, has been scarcely discussed. Herein we present a strategy that combines X-Ray Diffraction (XRD) with 13C- paramagnetic Nuclear Magnetic Resonance spectroscopy, in order to demonstrate the presence of parama
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3

Bai, Shi-Qiang, Lu Jiang, Jing-Lin Zuo, Chun-Hua Yan, and T. S. Andy Hor. "Dinuclear Cu(II) 1,2,3-Triazole-Bridged Complex with Ferromagnetic Coupling." Australian Journal of Chemistry 66, no. 9 (2013): 1029. http://dx.doi.org/10.1071/ch13224.

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A new dinuclear Cu(ii) complex [Cu2Cl4(L1)2] (1) (L1 = 1-(2-picolyl)-4-hexyl-1H-1,2,3-triazole) has been synthesised and characterised by single-crystal X-ray diffraction (XRD) and powder XRD, thermogravimetric analysis, electron paramagnetic resonance spectrum, photoluminescence, and magnetic measurements. Complex 1 shows double 1,2,3-triazoles bridging the dinuclear Cu2N4 moiety, in which the bridging N=N bond indicates basal-apical asymmetric mode with 112.6° torsion angle of Cu–N=N–Cu. Different from most azole-bridged dinuclear Cu(ii) with antiferromagnetic couplings, complex 1 shows an i
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4

Anupama, Srivastava, K. Srivastava Akhilesh, Vishwkarma Arti, P. Pandey Om, and K. Sengupta Soumitra. "Synthesis, spectroscopic studies and biological aspects of bis(cyclopentadienyl)titanium(IV) complexes with 4-amino-5-(nicotinic/picolinic/isonicotinic/indole-3-propyl/indole-3-ethyl)-3- mercapto-1,2,4-triazole." Journal of Indian Chemical Society Vol. 97, No. 11b, Nov 2020 (2020): 2363–71. https://doi.org/10.5281/zenodo.5656098.

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Department of Chemistry, D.D.U Gorakhpur University, Gorakhpur-273 009, Uttar Pradesh, India <em>E-mail</em>: sengupta@hotmail.co.uk <em>Manuscript received online 12 October 2020, revised and accepted 27 November 2020</em> Titanium(IV) complexes of type [(ɳ<sup>5</sup>-C<sub>5</sub>H<sub>5</sub>)<sub>2</sub>TiCl(L)] have been synthesized by the reactions of bis(cyclopentadienyl)- titanium(IV)dichloride with ligand (LH) derived from condensation of (nicotinic/picolinic/isonicotinic/indole-3-propyl/indole-3- ethyl)carboxylic acid and thiocarbohydrazide in dry tetrahydrofuran in the presence of
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5

Karpun, E. O., and V. V. Parchenko. "Synthesis, physicochemical properties and antigypoxic activity of some S-derivatives of 4-alkyl-5-(((3-(pyridin-4-yl)-1H-1,2,4-triazol-5-yl)thio)methyl)-4H-1,2,4-triazole-3-thiol." Farmatsevtychnyi zhurnal, no. 6 (December 9, 2020): 56–64. http://dx.doi.org/10.32352/0367-3057.6.20.06.

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Hypoxia is a discrepancy between the required energy of the cell in the mitochondrial oxidative phosphorylation system. The immediate cause of the deficiency is a decrease in the oxygen concentration in the mitochondria. Today there is a huge demand for the development of new anti-hypoxic drugs. t is known that 1,2,4-triazole compounds can have antimicrobial, anti-inflammatory, anti-hypoxic effects. Modification of the 1,2,4-triazole nucleus is a productive way to create original active molecules with a non-planar structure, for their binding to bio-target substrates. Derivatives of bis-1,2,4-
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Suhak, O. A., О. I. Panasenko, and Ye G. Knysh. "Synthesis, physic and chemical properties of 2-(4-R-5-(thiophene-2-ylmethyl)-4h-1,2,4-triazole-3-ylthio)acetate acids and their salts." Farmatsevtychnyi zhurnal, no. 2 (August 14, 2018): 48–54. http://dx.doi.org/10.32352/0367-3057.2.17.06.

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Derivatives of 1,2,4-triazole are inherent in various types of biological activity. They can be used as pesticide and medicinal drugs (anticonvulsants, analgetics, antitumor and antibacterial). In this regard the search of new methods of synthesis and investigation of biological activity of 2-(4-R-5-(thiophene-2-ylmethyl)-4H-1,2,4-triazole-3-ylthio)acetate acids and their salts is relevant nowadays.&#x0D; With the aim of finding the new biologically active compounds 2-(4-R-5-(thiophene-2-ylmethyl)-4H-1,2,4-triazole-3-ylthio)acetate acids and their salts are synthesized, where R is methyl, ethy
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7

Safonov, A. A. "Study acute toxicity of 4-(R-amino)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol in vivo." Farmatsevtychnyi zhurnal, no. 2 (August 14, 2018): 98–101. http://dx.doi.org/10.32352/0367-3057.2.16.06.

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Typically, the system is already known are used as the core for a new substance, which have already proved themselves as potential drugs. So one of these is 1,2,4-triazole ring.&#x0D; The purpose was to study acute toxicity of 4-((R-iden)amino)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiols and identify possible patterns acute toxicity of the chemical structure of indicators derivatives. In the study of acute contact toxicity was used spreadsheet rapid method for Prozorovsky V. B.&#x0D; Analysis of the results of studies acute toxicity of 1,2,4-triazole derivatives showed that all substanc
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8

Jiang, Lu, Zhe Wang, Shi-Qiang Bai, Xian Jun Loh, and T. S. Andy Hor. "Novel MII (M = Mn, Fe, Co, Ni) Coordination Assemblies Based on 2-(((1-(Pyridin-n-ylmethyl)-1H-1,2,3-triazol-4-yl)methyl)thio)pyridine Ligands." Australian Journal of Chemistry 69, no. 6 (2016): 645. http://dx.doi.org/10.1071/ch15362.

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Three novel 1D coordination polymers [M(L1)2(OH2)2(ClO4)2]n (M = Mn (1), Co (2)) and [Ni(L1)2(OH2)2(NO3)2]n (3), and two mononuclear complexes [Fe(L2)2(MeOH)2(ClO4)2] (4) and [Co(L2)2(OH2)2(ClO4)2] (5) were prepared from 2-(((1-(pyridin-n-ylmethyl)-1H-1,2,3-triazol-4-yl)methyl)thio)pyridine ligands (n = 4 (L1), and 2 (L2)). The complexes 1–5 were characterised by single-crystal X-ray diffraction (XRD), powder XRD, thermogravimetric analysis, elemental analysis, infrared, and electrospray ionisation mass spectrometry analyses. The complexes 1–5 showed good purity and thermal stability. The stru
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9

Cisterna, Jonathan, Catherine Araneda, Pilar Narea, Alejandro Cárdenas, Jaime Llanos, and Iván Brito. "The Positional Isomeric Effect on the Structural Diversity of Cd(II) Coordination Polymers, Using Flexible Positional Isomeric Ligands Containing Pyridyl, Triazole, and Carboxylate Fragments." Molecules 23, no. 10 (2018): 2634. http://dx.doi.org/10.3390/molecules23102634.

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To systematically investigate the influence of the positional isomeric effect on the structures of polymer complexes, we prepared two new polymers containing the two positional isomers ethyl 5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-3-carboxylate (L1) and ethyl-5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxylate (L2), as well as Cd(II) ions. The structures of the metal–organic frameworks were determined by a single crystal XRD analysis. The compound [Cd(L1)2·4H2O] (1), is a hydrogen bond-induced coordination polymer, whereas the compound [Cd(L2)4·5H2O]n (2) is a three-dimensional (3-D)
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10

Safonov, A. A. "Synthesis, physico-chemical properties of 2-((4-amino-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetohyd-razides." Farmatsevtychnyi zhurnal, no. 5 (August 14, 2018): 31–36. http://dx.doi.org/10.32352/0367-3057.5.16.03.

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The value of the class of 1,2,4-triazole derivatives to create a low-toxic and highly active substances is huge. There are a lot of facts about the high biological activity among a number of substances. The 2-((4-amino-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazides derivatives causes of particular interest in this direction.&#x0D; The aim of the work was to synthesize 2-((4-amino-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazides and their derivatives, studying of their physico-chemical properties.&#x0D; 2-((4-amino-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3
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11

El-Naggar, Mostafa A., Hessa H. Al-Rasheed, Sarah A. AL-khamis, et al. "Synthesis and X-ray Structure Analysis of the Polymeric [Ag2(4-Amino-4H-1,2,4-triazole)2(NO3)]n(NO3)n Adduct: Anticancer, and Antimicrobial Applications." Inorganics 11, no. 10 (2023): 395. http://dx.doi.org/10.3390/inorganics11100395.

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A new Ag(I) adduct was synthesized by the reaction of 4-amino-4H-1,2,4-triazole (L) with AgNO3. Its chemical structure was approved to be [Ag2(L)2(NO3)]n(NO3)n utilizing elemental analysis, FTIR spectra, and single crystal X-ray diffraction (SC-XRD). According to SC-XRD, there are two independent silver atoms which are coordinated differently depending on whether the nitrate anion is coordinated or not. The coordination geometry of Ag1 is a slightly bent configuration while Ag2 has a distorted tetrahedral structure. The 4-amino-4H-1,2,4-triazole ligand and one of the nitrate groups adopt bridg
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12

Odyntsova, V. M. "The main optical characteristics of UV-spectra of 5-(adamantane-1-yl)-4R-1,2,4-triazole-3-thiones derivatives." Farmatsevtychnyi zhurnal, no. 5 (September 4, 2018): 57–62. http://dx.doi.org/10.32352/0367-3057.5.15.01.

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The development of pharmaceutical chemistry confronts molecular spectroscopy the problem of calculating the electronic states, assumptions and explanations of the various properties of complex organic compounds. In recent years, following the basic optical characteristics of the electronic absorption spectra: the wave number of maximum absorption – νmax (in cm-1), the half-width of the absorption bands of – ∆ν1/2 (cm-1), the integral intensity of the absorption band (in l/mol·cm2), the oscillator strength of the electronic transition – f, the matrix element of the transition of electrons – Mik
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13

Ramlath, K. T. "THEORETICAL AND EXPERIMENTAL FT-IR , OPTIMISED MOLECULAR GEOMETRY, HOMO–LUMO,MULLIKEN CHARGES AND NBO ANALYSIS OF SOME SUBSTITUTED TRIAZOLES." International Journal of Advances in Engineering & Scientific Research 1, no. 2 (2014): 56–79. https://doi.org/10.5281/zenodo.10720144.

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<strong>ABSTRACT</strong> &nbsp; &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; &nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;<em>&nbsp;Quantum chemical calculations have been widely used to monitor reaction mechanisms, to study inhibition of the corrosion of metals. DFT is considered as a very useful technique to probe as well as to analyze the experimental data. </em> <em>This study proposes a joint experimental and theoretical investigation of FTIR and vibrational characteristics of Triazoles (4-amino- 4H-1, 2, 4-triazole-3, 5-dimethanol(ATD ) and 3-amino-5-methy
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14

Panova, Mariya A., Konstantin V. Shcherbakov, Ekaterina F. Zhilina, Yanina V. Burgart, and Victor I. Saloutin. "Synthesis of Mono- and Polyazole Hybrids Based on Polyfluoroflavones." Molecules 28, no. 2 (2023): 869. http://dx.doi.org/10.3390/molecules28020869.

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The possibility of functionalization of 2-(polyfluorophenyl)-4H-chromen-4-ones, with them having different numbers of fluorine atoms, with 1,2,4-triazole or imidazole under conditions of base-promoted nucleophilic aromatic substitution has been shown. A high selectivity of mono-substitution was found with the use of an azole (1.5 equiv.)/NaOBut(1.5 equiv.)/MeCN system. The structural features of fluorinated mono(azolyl)-substituted flavones in crystals were established using XRD analysis. The ability of penta- and tetrafluoroflavones to form persubstituted products with triazole under azole (6
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Sugiyarto, Kristian Handoyo, Isti Yunita, and Harold Andrew Goodwin. "Preparation, Electronic Properties, and Powder-XRD Structure Analysis of 3,5-Bis(pyridin-2-yl)-H-1,2,4-triazoledichloridocopper(II)." Indonesian Journal of Chemistry 20, no. 6 (2020): 1422. http://dx.doi.org/10.22146/ijc.55600.

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Salt of [Cu(bptrzH)Cl2], (bptrzH = 3,5-bis(pyridin-2-yl)-H-1,2,4-triazole) has been prepared and characterized its electronic spectral and magnetic properties. This salt is paramagnetic with magnetic moment, μs, being 1.77–1.78 BM at 293 K, but decreased significantly with decreasing temperature to be 0.60–0.63 BM at 90 K, indicating antiferromagnetic nature. This is associated with Cu–Cu magnetic interactions at low temperatures, and suggests that the salt adopt an octahedrally polymeric structure. The electronic spectrum of this salt reveals a strong ligand field band centered at about 13,00
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Hassan, Saieba S., and Hassan, Abdulkarim H. Al-syar. "Synthesis and Characterization of Some New Uracil Derivatives and their Biological Activity." Thamar University Journal of Natural & Applied Sciences 1, no. 1 (2023): 21–34. http://dx.doi.org/10.59167/tujnas.v1i1.1250.

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This research includes the synthesis of thirty derivatives of uracil. &#x0D; Nucleophilic substitution reaction (thiol, alkylthio, hydrazino, &#x0D; thioacid,.. etc) of 4-chlorouracil afforded the corresponding &#x0D; derivatives. The 4-(2`-thiol-1` ,3`,4`-oxadiazole-5`-thiomethyl) uracil &#x0D; (12), ( N` - phenyl – 2` - thio -1` ,3`,4`-triazole-5`-methyl)-(2,6-&#x0D; dihydroxy-4-pyrimidinyl) sulphide (14) and 5-(2`,6`-dihydroxy-4`-&#x0D; pyrimidinyl thioacetamido)-1,3,4-thiadiazole-2-thiol (15), were &#x0D; synthesized by treatment of 4-thioacetichydrazide uracil (11) with &#x0D; carbon disu
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Gotsulya, A. S., D. P. Verba, O. I. Panasenko, and Ye G. Knysh. "Synthesis and study of the properties of derivatives 4-phenyl-5-(1H-pyrrol-2-yl)-4H-1,2,4-triazole-3-thiols." Farmatsevtychnyi zhurnal, no. 1 (August 14, 2018): 59–66. http://dx.doi.org/10.32352/0367-3057.1.17.08.

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The successful use of drugs, derivatives of 1,2,4-triazole, creates the conditionsfor the production and investigation of properties of new derivatives of this heterocyclic system.&#x0D; The aim of this work was synthesis and study of physical and chemical properties of new derivatives of 1,2,4-triazole-3-thiol containing synthon of pyrrole.&#x0D; The object of the study was a 4-phenyl-5-(pyrrol-2-yl)-1,2,4-triazole-3-ylthio-R-carbothioamides.&#x0D; To achieve this goal it was necessary to solve following tasks: to conduct the selection of the optimum base structure to determine the most effic
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18

Previtali, Andrea, Elena Lucenti, Alessandra Forni, et al. "Solid State Room Temperature Dual Phosphorescence from 3-(2-Fluoropyridin-4-yl)triimidazo[1,2-a:1′,2′-c:1″,2″-e][1,3,5]triazine." Molecules 24, no. 14 (2019): 2552. http://dx.doi.org/10.3390/molecules24142552.

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Organic room temperature persistent luminescence is a fascinating but still largely unexplored phenomenon. Cyclic-triimidazole and its halogenated (Br, I) derivatives have recently revealed as intriguing phosphors characterized by multifaceted emissive behavior including room temperature ultralong phosphorescence (RTUP) associated with the presence of H-aggregates in their crystal structure. Here, we move towards a multicomponent system by incorporating a fluoropyridinic fragment on the cyclic-triimidazole scaffold. Such chromophore enhances the molecular properties resulting in a high photolu
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Sharma, M. L., A. K. Srivastava, B. P. Sharma, B. P. Marasini, O. P. Pandey, and S. K. Sengupta. "SYNTHESIS, PHYSICOCHEMICAL STUDIES AND BIOLOGICAL APPLICATIONSOF OXOVANADIUM(IV) COMPLEXES WITH SCHIFF BASES DERIVED FROM 3-PHENYL-4-AMINO-5-MERCAPTO-1, 2, 4-TRIAZOLES AND BENZIL." International Journal of Advanced Research 10, no. 04 (2022): 841–54. http://dx.doi.org/10.21474/ijar01/14621.

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A series of some mononuclear oxovanadium(IV) complexes have been synthesized by the reactions of oxovanadium(IV) sulfate with Schiff base ligands derived from 3-(phenyl / substituted phenyl)-4-amino-5-mercapto-1, 2, 4-triazoles of aromatic carboxylic acids and benzyl. The complexes were analyzed by different spectroscopic methods (FTIR, UV-Vis., EPR), X-ray diffraction (XRD) analysis, elemental analysis, conductivity measurement, and cyclic voltammetry (CV) analysis. The non-electrolytic nature of the complexes was determined on the basis of the molar conductance values. The powder X-ray diffr
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Al-Radadi, Najlaa S., Ehab M. Zayed, Gehad G. Mohamed, and Hayam A. Abd El Salam. "Synthesis, Spectroscopic Characterization, Molecular Docking, and Evaluation of Antibacterial Potential of Transition Metal Complexes Obtained Using Triazole Chelating Ligand." Journal of Chemistry 2020 (February 24, 2020): 1–12. http://dx.doi.org/10.1155/2020/1548641.

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Mononuclear chelates of Ni(II), Co(II), Fe(III), Cd(II), and Cu(II) derived from triazole novel tridentate ligands were prepared and characterized by different spectroscopic methods. The metal to ligand ratio was 1 : 2, which was revealed by elemental analysis. All the complexes were electrolytic in nature as suggested by the conductivity measurements. IR pointed out that the coordination of the triazole ligand toward the metal ions was carried out through N amino and S thiophenolic atoms. The complexes were found to have octahedral geometry, and their thermal stability was also studied. The X
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Meng, Lingshu, Lun Zhao, Guanlin Guo, et al. "Syntheses, Structures, and Characteristics of Three Metal Complexes Constructed Using Hexacarboxylic Acid." Molecules 24, no. 24 (2019): 4431. http://dx.doi.org/10.3390/molecules24244431.

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In this study, three new 3D coordination polymers (CPs), {[Cd3(L)(H2O)6]·H2O}n (1), {[Cu1.5(L)0.5(bimb)1.5]·5H2O·DMF}n (2), and {[Mn1.5(H3L)(bibp)0.5(H2O)2]·3H2O}n (3) (bimb= 1,3-bis(imidazol-1-yl)benzene, bibp= 1,4-bis((4-imidazol-1-yl)benzyl)piperazine), were prepared under solvothermal or hydrothermal conditions based on a hexadentate ligand (1,3,5-triazine-2,4,6-triamine hexa-acetic acid (H6L)). Structural elucidations were carried out by IR spectra along with single-crystal X-ray diffraction analysis, while thermogravimetric analysis (TGA) (dynamic and isothermal) and XRD techniques were
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Novikov, Anton Petrovich, and Mikhail Alexandrovich Volkov. "New O- and N-N-Bridging Complexes of Tc(V), the Role of the Nitrogen Atom Position in Aromatic Rings: Reaction Mechanism, Spectroscopy, DTA, XRD and Hirshfeld Surface Analysis." International Journal of Molecular Sciences 23, no. 22 (2022): 14034. http://dx.doi.org/10.3390/ijms232214034.

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In this work, O- and N-N-bridging complexes of technetium (V), previously known only for rhenium, were obtained for the first time. Tc(V) complexes with pyridazine (pyd), 1,2,4-triazole (trz), 3,5-dimethylpyrazole (dmpz) and pyrimidine (pyr) were obtained. In three complexes [{TcOCl2}2(μ-O)(μ-pyd)2], [{TcOCl2}2(μ-O)(μ-trz)2]·Htrz·Cl and [{TcO(dmpz)4}(μ-O)(TcOCl4)] two technetium atoms are linked by a Tc-O-Tc bond, and in the first two, Tc atoms are additionally linked by a Tc-N-N-Tc bond through the nitrogen atoms of the aromatic rings. We determined the role of nitrogen atom position in the a
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Narkbuakaew, Tanaporn, and Pornapa Sujaridworakun. "The Influence of Soaking Time on Photocatalytic Performance of g-C3N4 under Visible Light Irradiation." Key Engineering Materials 862 (September 2020): 1–6. http://dx.doi.org/10.4028/www.scientific.net/kem.862.1.

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In this research, visible-light responsive g-C3N4, photocatalyst was achieved through the simple calcination of urea at 600 °C by using the muffle furnace. The effects of calcination soaking time on preparation of high performance g-C3N4 were studied at 1, 2, 3, and 4 h. The g-C3N4 prepared at various soaking times were characterized by the X-ray diffraction (XRD) for crystallographic information and the Fourier-transform infrared spectroscopy (FTIR) for chemical composition analysis. Further, in the case of morphology and surface area of prepared photocatalysts, the Transmission Electron Micr
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Safonov, A. A. "Synthesis, physico-chemical properties of derivatives 3-(alkylthio)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-4-amine." Farmatsevtychnyi zhurnal, no. 3-4 (August 14, 2018): 50–54. http://dx.doi.org/10.32352/0367-3057.3-4.16.03.

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Recently, the search for new compounds with high biological activity, which can be the basis for potential drugs, becomes topical for world scientists. A heterocyclic compound cause particular interest in this area as highly pharmacologically active compounds. Scientists extends interest due to the low toxicity and high reactivity 1,2,4-triazole of the system. It is proved that the combination of triazole nucleus with other heterocyclic systems, especially in the fifth position, causes increased biological effect, and, sometimes, the appearance of new pharmacological activities.&#x0D; The aim
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Бакумовська, Х. Д., and А. С. Гоцуля. "Synthesis and properties of 7-((6-aryl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl)methyl)theophyllines." Farmatsevtychnyi zhurnal, no. 1 (February 27, 2023): 58–65. http://dx.doi.org/10.32352/0367-3057.1.23.06.

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The creation of new biologically active compounds is a promising area of modern medicinal chemistry. Heterocyclic systems play an important role in this process.Among them, it is necessary to note 1,2,4-triazole and xanthine, the presence of which in the structure of known medicines determines their pharmacological activity. The combination of these heterocycles within a single molecule can lead to the enhancement of the existing biological effect or the emergence of new useful properties.&#x0D; The aim of the work has been to synthesize new theophylline-containing 4-amino-1,2,4-triazole-3-thi
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26

Martín-García, Yaiza, Jesús Tapiador, Gisela Orcajo, Juan Ayala, and Ana B. Lago. "[BMIM][X] Ionic Liquids Supported on a Pillared-Layered Metal–Organic Framework: Synthesis, Characterization, and Adsorption Properties." Molecules 29, no. 15 (2024): 3644. http://dx.doi.org/10.3390/molecules29153644.

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Combining ionic liquids (ILs) and metal–organic frameworks (MOFs) can be an intriguing opportunity to develop advanced materials with different adsorption capabilities for environmental applications. This study reports the preparation and characterization of a 3D pillared-layered compound, namely, [Zn2(tz)2(bdc)] (CIM91), formed by 1,2,4-triazole (Htz) and 1,4-benzenedicarboxylic acid (H2bdc) ligands. Then, various loadings of the water-stable and hydrophobic IL, 1-n-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]), and the water-soluble 1-n-butyl-3-methylimidazolium chloride ([BMIM
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M. Garoub, Mohannad, and Ayman A. Gouda. "An efficient ionic liquid-based cloud point extraction to preconcentrate mercury in environmental samples and hair of occupational workers before spectrophotometric detection." Bulletin of the Chemical Society of Ethiopia 36, no. 4 (2022): 767–78. http://dx.doi.org/10.4314/bcse.v36i4.4.

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ABSTRACT. Mercury preconcentration in environmental samples and hair of occupational workers prior to spectrophotometric detection was described using a unique, eco-friendly, and quick ionic liquid-based cloud point extraction method. The discovered method used an ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate with Triton X-114 as an extracting phase in the presence of a new chelating agent 3-(2-hydroxy-5-ethoxycarbonylphen-1-ylazo)-1,2,4-triazole at pH 7.0 to separate mercury and measure the complex spectrophotometrically at wavelength 550 nm. The effects of several analytical f
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28

Vdovin, Vasyl, and Sergiy Yarmoluk. "The cytotoxic effect of some synthetic nitrogen-containing heterocyclic compounds on cultures of tumour and normal cells and the calculation of their ADME, QSAR, and DFT pharmacological properties." ScienceRise: Biological Science, no. 1(30) (May 7, 2022): 26–37. http://dx.doi.org/10.15587/2519-8025.2022.256113.

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The cytotoxic effect of several synthetic nitrogen-containing heterocyclic compounds on cultures of tumour and normal cells and the calculation of their ADME, QSAR, and DFT pharmacological properties&#x0D; The aim. The purpose of our work was to investigate the cytotoxic influence of some synthetic nitrogen-containing heterocyclic compounds, namely imidazole, aurones, and triazole on the culture of tumour cells of melanoma mouse B16, human glioma U251 and normal HEK293 and their ADME, QSAR, and DFT pharmacological properties calculation.&#x0D; Materials and methods. The estimation of cell viab
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29

Kaplaushenko, Т. М., О. І. Panasenko та Y. G. Samelyuk. "Synthesis and establishment of physico-chemical constants 2-(5-( chinoline -2-il, 2-hydroxyquinoline-4-іл)-4-R1-1,2,4-triazole-3-ілтіо) acetate acids and their esther". Farmatsevtychnyi zhurnal, № 2 (14 серпня 2018): 53–59. http://dx.doi.org/10.32352/0367-3057.2.16.04.

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The large interest in the plan of search biologically of active agents is caused by the heterocyclic system of 1,2,4-triazole, due to high biological activity, and by the low indexes of toxicness, that inherent it to the structural analogues. Today in medical practice the derivatives of 1,2,4-triazole are used as high-efficiency antioxidants, cytostatic antimycotic agent , antidepressants and others.&#x0D; Literary information testify that among connections, representatives derivative of 3-tio-1,2,4-triazole range condensed with heteryl carboxylic acid, and their derivatives, find matters with
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30

H. Sumrra, S., M. Anees, A. Asif, et al. "Synthesis, structural, spectral and biological evaluation of metals endowed 1,2,4-triazole." Bulletin of the Chemical Society of Ethiopia 34, no. 2 (2020): 335–51. http://dx.doi.org/10.4314/bcse.v34i2.11.

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Biologically active triazole Schiff base ligand 2,4-dichloro-6-[(1H-1,2,4-triazol-3-ylimino)methyl]phenol (A) has been synthesized by the condensation reaction of an equimolar amount of 1H-1,2,4-triazole-3-amine and 3,5-dichlorosalicylaldehyde and then it coordinated with salts of metals [VO(IV), Fe(II), Co(II), Ni(II), Cu(II) and Zn(II)] in 2:1 molar ratio to derive a series of transition metal chelates (1)-(6). All the compounds were characterized by various physical, spectral, analytical techniques and elemental analysis. Spectral characterization and magnetic moment data of complexes revea
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Оглобліна, М. В., І. В. Бушуєва, and В. В. Парченко. "Modern approaches to studying the antimicrobial and antifungal activities of new 1,2,4-triazole derivatives." Farmatsevtychnyi zhurnal, no. 3 (June 29, 2022): 94–102. http://dx.doi.org/10.32352/0367-3057.3.22.11.

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1,2,4-Triazole and its derivatives are a promising class of organic compounds. For a long time, they remain in the spotlight due to a number of unique properties: high ability to chemical transformations, the presence of various types of biological activity and, of course, low toxicity. Also, a number of 1,2,4-triazole derivatives are currently well studied and implemented in various spheres of human life as effective drugs, various plant protection products (growth stimulants, fungicides, herbicides), anti-corrosion materials, plasticizers, etc.&#x0D; The aim of the work was to analyze and sy
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32

Fall, Serigne Abdou Khadir, Sara Hajib, Younas Aouine, et al. "X-ray Structure Determination of Naphthalen-2-yl 1-(Benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate." Molbank 2022, no. 2 (2022): M1360. http://dx.doi.org/10.3390/m1360.

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We have previously published on a new triazolic phosphonic α-amino ester in position 4 on the triazole ring of a naphthalene ester. The aim of the present paper was to describe its crystallographic study by XRD. The crystal structure of naphthalen-2-yl 1-(benzamido(diethoxyphosphoryl)methyl)-1H-1,2,3-triazole-4-carboxylate was determined by single-crystal X-ray diffraction. This compound crystallizes in the monoclinic system, space group P21/c. The naphthalene system is almost planar and makes dihedral angles of 67.1(2)° and 63.9(2)° with the triazole ring and the phenyl cycle, respectively. T
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Hajib, Sara, Younas Aouine, Hassane Faraj, and Anouar Alami. "N-(1-azido-2-(azidomethyl)butan-2-yl)-4-methylbenzenesulfonamide." Molbank 2022, no. 3 (2022): M1448. http://dx.doi.org/10.3390/m1448.

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A new bi-triazole precursor, N-(1-azido-2-(azidomethyl)butan-2-yl)-4-methylbenzenesulfonamide, was synthesized in two steps from 2-amino-2-ethyl-1,3-propanediol, with an overall yield of 80%. The chemical structures of the products obtained were established based on 1D and 2D NMR, IR spectroscopy, and elemental analysis.
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Schabelnyk, K. P., S. V. Kholodnyak, N. M. Polishchuk та S. І. Kоvalenko. "2-Сycloalkyl-(hetaryl-)-[1,2,4]triazol[1,5-с]quinazolines: synthesis, physical and chemical properties and antibacterial activity". Farmatsevtychnyi zhurnal, № 6 (9 грудня 2020): 65–77. http://dx.doi.org/10.32352/0367-3057.6.20.07.

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In spite of the achievements in the chemistry of triazoloquinazolines, the synthetic possibilities of this class of compounds are not exhausted, some problems remain unresolved and require further study. 2-R-[1,2,4]triazolo[1,5-с]quinazolines are among them due to insufficiently explored but at the same time interesting in both chemical and biological aspects.&#x0D; Undoubtedly «pharmacophore» has the crucial role in the response of a biological action. It is contained in this heterocycle namely the substitute position 2.&#x0D; In view of the above, we attempted to modify triazolo[1,5-с]quinaz
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Kucheryavyi, Yu M., and A. G. Kaplaushenko. "Synthesis, physical and chemical properties of 5-(phenoxymethylene)-4-R-1,2,4-triazol-3-thiones derivatives, which contain alkyl- and arylnitrile fragments." Farmatsevtychnyi zhurnal, no. 4 (September 4, 2018): 52–58. http://dx.doi.org/10.32352/0367-3057.4.15.01.

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Ukraine takes the second place in Europe for the dissemination of cancer. Ukrainian pharmaceutical market practically doesn’t have domestic anti-tumor drugs. That’s why, many scientists of pharmaceutical industry work in this direction. The searching of biologically active substances among derivatives of 1,2,4-triazole is actually for today. Anastrozole and Letrozole are enough known like anti-tumor drugs which contain in their structures the core of 1,2,4-triazole and nitrile groups.&#x0D; The aim of our work is purposeful synthesis a number of new highly effective compounds 2-((5-(phenoxymet
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36

Kravchenko, T. V., O. I. Panasenko, and Ye G. Knysh. "Synthesis and physicochemical properties 4-((R))amino)-5-methyl-4H-1,2,4-triazole-3-thiols." Farmatsevtychnyi zhurnal, no. 6 (August 14, 2018): 55–59. http://dx.doi.org/10.32352/0367-3057.6.16.02.

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Purposeful synthesis of derivatives of 1,2,4-triazole is one of the most important branches of modern pharmaceutical science&#x0D; Modern pharmaceutical market of domestic medicines requires constant updates of existing range. It makes possible the synthesis of new compounds with a predicted biological activity.&#x0D; The main advantage of derivatives of 1,2,4-triazole is high efficiency and low toxic. That is promising factor for creation of new chemical compounds.&#x0D; Analysis of literary data of past few years has showed that there is not enough information about synthesis, physical, chem
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37

Abad, Nadeem, Youssef Ramli, Tuncer Hökelek, Nada Kheira Sebbar, Joel T. Mague, and El Mokhtar Essassi. "Crystal structure and Hirshfeld surface analysis of 1-[(1-butyl-1H-1,2,3-triazol-4-yl)methyl]-3-methylquinoxalin-2(1H)-one." Acta Crystallographica Section E Crystallographic Communications 74, no. 12 (2018): 1815–20. http://dx.doi.org/10.1107/s205698901801589x.

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The title compound, C16H19N5O, is built up from a planar quinoxalinone ring system linked through a methylene bridge to a 1,2,3-triazole ring, which in turn carries ann-butyl substituent. The triazole ring is inclined by 67.09 (4)° to the quinoxalinone ring plane. In the crystal, the molecules form oblique stacks along thea-axis direction through intermolecular C—HTrz...NTrz(Trz = triazole) hydrogen bonds, and offset π-stacking interactions between quinoxalinone rings [centroid–centroid distance = 3.9107 (9) Å] and π–π interactions, which are associated pairwise by inversion-related C—HDhydqn.
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38

Karpun, Ye O., S. O. Borsuk, L. I. Kucherenko, and V. V. Parchenko. "The study of the optical activity of some S-derivatives 4-R-5-((((3-(pyridin-4-yl)-1H-1,2,4-triazole-5-yl)thio)methyl)-4H-1, 2,4-triazole-3-thiols." Current issues in pharmacy and medicine: science and practice 15, no. 2 (2022): 128–32. http://dx.doi.org/10.14739/2409-2932.2022.2.255791.

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About half of the drugs currently produced are chiral compounds, and about 90 % of these compounds are sold as racemates, consisting of an equimolar mixture of two enantiomers. Although they have the same chemical structure, most of the optical isomers of chiral substances show marked differences in biological activity. It is known that the presence of a single asymmetric atom has become almost an integral part of advanced drug design. The aim of this work was to determine the angle of rotation of the polarization plane of solutions of some S-derivatives of 4-R-5-((((3-(pyridin-4-yl)-1H-1,2,4-
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39

Vorga, Milenca Mariana, and Valentin Badea. "(±)-2-{[4-(4-Bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenyl-1-ethanol." Molbank 2021, no. 3 (2021): M1268. http://dx.doi.org/10.3390/m1268.

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The novel racemic secondary alcohol (±)-2-{[4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenyl-1-ethanol (12) has been successfully synthesized through S-alkylation of 4-(4-bromophenyl)-5-phenyl-4H-1,2,4-triazole-3-thiol (10) in alkaline medium with 2-bromo-1-phenylethanone followed by reduction of the corresponding ketone 11. All the synthesized compounds were characterized by IR, 1D (1H, 13C, DEPT135) and 2D (1H-1H, 1H-13C and 1H-15N) NMR spectroscopy, elemental analysis and HRMS spectrometry.
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Singh, Kiran, and Dharam Pal. "Synthetic, structural and biological studies of organosilicon(IV) complexes of Schiff bases derived from pyrrole-2-carboxaldehyde." Journal of the Serbian Chemical Society 75, no. 7 (2010): 917–27. http://dx.doi.org/10.2298/jsc081216063s.

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Selected new organosilicon(IV) complexes having the general formula R2SiCl[L] and R2Si[L]2 were synthesized by the reactions of Me2SiCl2 with Schiff bases [5-mercapto-4-(2-pyrrolecarboxalideneamino)-s-triazole, 5-mercapto-3-methyl-4-(2-pyrrolecarboxalidene amino)-s-triazole and 3-ethyl-5-mercapto-4-(2-pyrrolecarboxalideneamino)-s-triazole] in 1:1 and 1:2 molar ratios. All of the compounds were characterized by elemental analysis, molar conductance, and IR, UV, 1H-, 13C- and metal-NMR spectral studies. All the spectral data suggest an involvement with an azomethine nitrogen in coordination to t
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41

Zdanovskaia, Maria A., Peter R. Franke, Brian J. Esselman, et al. "Vibrationally excited states of 1H- and 2H-1,2,3-triazole isotopologues analyzed by millimeter-wave and high-resolution infrared spectroscopy with approximate state-specific quartic distortion constants." Journal of Chemical Physics 158, no. 4 (2023): 044301. http://dx.doi.org/10.1063/5.0137340.

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In this work, we present the spectral analysis of 1 H- and 2 H-1,2,3-triazole vibrationally excited states alongside provisional and practical computational predictions of the excited-state quartic centrifugal distortion constants. The low-energy fundamental vibrational states of 1 H-1,2,3-triazole and five of its deuteriated isotopologues ([1-2H]-, [4-2H]-, [5-2H]-, [4,5-2H]-, and [1,4,5-2H]-1 H-1,2,3-triazole), as well as those of 2 H-1,2,3-triazole and five of its deuteriated isotopologues ([2-2H]-, [4-2H]-, [2,4-2H]-, [4,5-2H]-, and [2,4,5-2H]-2 H-1,2,3-triazole), are studied using millime
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42

Neelgundmath, Mahabaleshwaraiah, and Oblennavar Kotresh. "Synthesis, Evaluation and Characterization of Some 1,3,4-Triazole-2-one Derivatives as Antimicrobial Agents." E-Journal of Chemistry 9, no. 4 (2012): 2407–14. http://dx.doi.org/10.1155/2012/672125.

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A series of novel compounds like 3[(phenyl substituted)-5-methyl-1(Benzosulphonylamine)]-1,3,4-triazole-2-ones II(a-f) were synthesized by treating 4-amino-1-phenyl-3-methyl-5-oxo-1,2,4-triazoles with benzene sulphonyl chloride using pyridine as solvent. Similarly by using 4-amino-1-aryl-3-methyl-5-oxo-1,2,4-triazoles and acetic anhydride as starting material 3[(phenyl substituted)-5-methyl-1(acetylamino)]-1,3,4-triazole-2-ones III(a-f) were synthesized and also 3[(phenyl substituted)-5-methyl-1(chloroacetyl)]-1,3,4-triazole-2-ones I(a-f) were synthesized by treating 4-amino-1-aryl-3-methyl-5-
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Красовська, Н. І. "Approaches to synthesis of ([1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzoic acids as potential anti-inflammators." Farmatsevtychnyi zhurnal, no. 3 (June 29, 2022): 44–54. http://dx.doi.org/10.32352/0367-3057.3.22.05.

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Despite their high efficacy NSAIDs have significant side effects due to non-selective inhibition of COX-1 and COX-2. Due to this, medical chemists still pay considerable attention to their design and synthesis, in particular the creation of hybrid molecules that combine in their structure a fragment with anti-inflammatory activity and the quinazoline heterocycle.&#x0D; The aim of the present study is to develop methods for the synthesis of [1,2,4]triazolo[1,5-c]quinazolin-2-yl)benzoic acids as potential anti-inflammatory agents.&#x0D; Quinazolin-4(3H)-ylidene)hydrazides (hydrazones) of benzene
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44

Arfa, Parween, and Naskar Subhendu. "Synthesis and characterization of 1,2,4-triazole containing Schiff base ligands and their CuII complexes." Journal of Indian Chemical Society Vol. 94, Feb 2017 (2017): 135–40. https://doi.org/10.5281/zenodo.5599195.

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Department of Chemistry, Birla Institute of Technology, Mesra, Ranchi-835 215, Jharkhand, India <em>E-mail</em> : subnaskar@yahoo.co.in Fax : 91-651-2275401 <em>Manuscript received online 24 March 2016, accepted 17 October 2016</em> The condensation of 4-amino-1,2,4-triazole with 4-(diethylamino)salicylaldeyde, 5-Br-salicylaldeyde and 2- hydroxy-4-methoxybenzaldehyde in methanol to produce 1,2,4-triazole containing Schiff base ligands 2-((4<em>H</em>-1,2,4-triazole4-ylimino)methyl)-5-(diethylamino)phenol (L<sup>1</sup>H), 2-((4<em>H</em>-1,2,4-triazole-4-ylimino)methyl)-4-bromophenol (L<sup>2<
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45

Hakimov, Muminjon, Shakhnoza Khozhimatova, Ilkhomjon Ortikov, Ibragimdjan Abdugafurov, and Akmaljon Tojiboev. "Synthesis, crystal structure and Hirshfeld surface analysis of [1-(4-bromophenyl)-1H-1,2,3-triazol-4-yl]methyl 2-(4-nitrophenoxy)acetate." Acta Crystallographica Section E Crystallographic Communications 80, no. 8 (2024): 910–12. http://dx.doi.org/10.1107/s2056989024007436.

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The title compound, C17H13BrN4O5, was synthesized by a Cu2Br2-catalysed Meldal–Sharpless reaction between 4-nitrophenoxyacetic acid propargyl ether and para-bromophenylazide, and characterized by X-ray structure determination and 1H NMR spectroscopy. The molecules, with a near-perpendicular orientation of the bromophenyl-triazole and nitrophenoxyacetate fragments, are connected into a three-dimensional network by intermolecular C—H...O and C—H...N hydrogen bonds (confirmed by Hirshfeld surface analysis), π–π and Br–π interactions.
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Safonov, A. A., Yu V. Karpenko, and Ye H. Knysh. "A study of acute toxicity of newly synthesized compound on adult hydrobiont Danio rerio." Current issues in pharmacy and medicine: science and practice 14, no. 1 (2021): 68–72. http://dx.doi.org/10.14739/2409-2932.2021.1.226789.

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From ancient times the people used different poisons as a treatment for diseases of different genesis. To date, almost nothing has changed. One of the main conditions for the development of a new drug is its low toxicity. Literature analysis has shown that 1,2,4-triazole-3-thione derivatives are low-toxic compounds and exhibit a wide range of pharmacological activities.&#x0D; The aim of this work was the investigate acute toxicity LC50 in vivo of sodium 2-((4-amino-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-yl)thio)acetate on the Zebrafish (Danio rerio) aquatic model according to OECD instruc
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47

Wang, Yi, N. R. Bulatova, E. E. Klen, et al. "Efficacy of 4-(2-(4-nitrophenyl)-2-oxoethyl)-1-(thietane-3-yl)-1h-1,2,4-triazol-4 bromide in the rat model of inferior vena cava thrombosis." Translational Medicine 11, no. 1 (2024): 19–27. http://dx.doi.org/10.18705/2311-4495-2024-11-1-19-27.

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Introduction. According to WHO, acute disorders of cerebral circulation are anticipated to become a predominant contributor to the global disease burden by 2030. The comprehensive management of vascular depression entails not only the use of antidepressants but also fundamental interventions. The development of a novel molecule based on thietane-containing heterocycles, merging the attributes of an antidepressant and an antiplatelet agent, holds promise for enhancing therapeutic efficacy in patients with acute cerebrovascular accidents through multimodal action. Objective is to conduct a precl
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48

Pokhodylo, Nazariy T., Yurii Slyvka, and Volodymyr Pavlyuk. "Synthesis, crystal structure and Hirshfeld surface analysis of 5-cyclopropyl-N-(2-hydroxyethyl)-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide." Acta Crystallographica Section E Crystallographic Communications 77, no. 10 (2021): 1043–47. http://dx.doi.org/10.1107/s2056989021009774.

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The title compound, C15H18N4O2, was obtained via a two-step synthesis (Dimroth reaction and amidation) for anticancer activity screening and was selected from a 1H-1,2,3-triazole-4-carboxamide library. The cyclopropyl ring is oriented almost perpendicular to the benzene ring [dihedral angle = 87.9 (1)°], while the dihedral angle between the mean plane of the cyclopropyl ring and that of the triazole ring is 55.6 (1)°. In the crystal, the molecules are linked by O—H...O and C—H...N interactions into infinite ribbons propagating in the [001] direction, which are interconnected by weak C—H...O in
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Nurhan G mr k o lu, Nurhan G. mr k. o. lu, and Muhammad Imran and Inam Iqbal Muhammad Imran and Inam Iqbal. "Synthesıs and Characterızatıon of New Trıazole and Coumarın-Derived Heterocyclıc Compounds Part I." Journal of the chemical society of pakistan 41, no. 6 (2019): 1097. http://dx.doi.org/10.52568/000830/jcsp/41.06.2019.

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Synthesis of ethyl ester of acetic acid containing 5-oxo-[1,2,4] triazole ring (2) was achieved by the condensation of 3-substituted-4-amino-1H-1,2,4-triazol-5(4H)-one (1) with ethyl bromoacetate in basic medium. Compound 2, was then further reacted with hydrazine hydrate to form acid hydrazide, which is 2-(4-amino-3-substituted-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)acetohydrazide (3). Compound 3 was later treated with three different diverse coumarin aldehydes (6, 12, 18) resulted in the formation of arylidene hydrazides as cis–trans conformers (7, 8, 13, 14, 19, 20). In conclusion, we synt
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Colombo Dugoni, Greta, Alberto Baggioli, Antonino Famulari, et al. "Structural properties of the chelating agent 2,6-bis(1-(3-hydroxypropyl)-1,2,3-triazol-4-yl)pyridine: a combined XRD and DFT structural study." RSC Advances 10, no. 33 (2020): 19629–35. http://dx.doi.org/10.1039/d0ra04142d.

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