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Journal articles on the topic 'HALOGEN DERIVATIVES'

Author: Grafiati

Published: 5 June 2025

Last updated: 1 August 2025

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1

Akune, Yoko, Risa Hirosawa, Atsushi Koseki, and Shinya Matsumoto. "Role of halogen substituents in a series of polymorphic 2,5-diamino-3,6-dicyanopyrazine derivatives with highly flexible groups." Zeitschrift für Kristallographie - Crystalline Materials 232, no. 5 (2017): 395–405. http://dx.doi.org/10.1515/zkri-2016-2007.

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AbstractThe crystal structures of the ortho-X-benzyl derivatives, where X=F, Cl, Br, I, and Me, of 2,5-bis(N,N-dibenzylamino)-3,6-dicyanopyrazine dyes (C34H24N6X4) were analysed to evaluate the effect of a systematic series of structures on the occurrence of polymorphism. Detailed crystal structure analysis indicated that the thermally stable forms of the polymorphic derivatives (Cl and Br derivatives) were close-packed, whereas those of the non-polymorphic derivatives (F and I derivatives) were stabilised by an intermolecular interaction involving the ortho-substituents. In the thermally meta

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2

Chen, Yating, Yibin Zhou, Zhiqiang Wang, et al. "Enhanced mechanofluorochromic properties of 1,4-dihydropyridine-based fluorescent molecules caused by the introduction of halogen atoms." CrystEngComm 21, no. 29 (2019): 4258–66. http://dx.doi.org/10.1039/c9ce00348g.

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Halogen-substituted 1,4-dihydropyridine derivatives exhibit higher contrast mechanofluorochromic properties than the derivative without a halogen atom because of more twisted conformations and looser stacking arrangements.

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3

Cavallo, Gabriella, Jane S. Murray, Peter Politzer, Tullio Pilati, Maurizio Ursini, and Giuseppe Resnati. "Halogen bonding in hypervalent iodine and bromine derivatives: halonium salts." IUCrJ 4, no. 4 (2017): 411–19. http://dx.doi.org/10.1107/s2052252517004262.

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Halogen bonds have been identified in a series of ionic compounds involving bromonium and iodonium cations and several different anions, some also containing hypervalent atoms. The hypervalent bromine and iodine atoms in the examined compounds are found to have positive σ-holes on the extensions of their covalent bonds, while the hypervalent atoms in the anions have negative σ-holes. The positive σ-holes on the halogens of the studied halonium salts determine the linearity of the short contacts between the halogen and neutral or anionic electron donors, as usual in halogen bonds.

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4

Scattolin, Thomas, Fabiano Visentin, Claudio Santo, Valerio Bertolasi та Luciano Canovese. "The unexpected case of reactions of halogens and interhalogens with halide substituted Pd(ii) σ-butadienyl complexes". Dalton Transactions 45, № 28 (2016): 11560–67. http://dx.doi.org/10.1039/c6dt01964a.

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Palladium σ-butadienyl derivatives react with halogens and interhalogens, under mild experimental conditions, to induce the substitution of the halogen to coordinated palladium and to the terminal butadienyl carbon without extrusion of the butadienyl fragment.

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5

Boule, P., K. Othmen, C. Richard, B. Szczepanik, and G. Grabner. "Phototransformation of halogenoaromatic derivatives in aqueous solution." International Journal of Photoenergy 1, no. 1 (1999): 49–54. http://dx.doi.org/10.1155/s1110662x99000094.

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The photochemical behaviour of monohalogeno-phenols and -anilines is highly dependent on the position of the halogen on the ring, but most often it is not significantly influenced by the nature of the halogen (Cl, Br, F). Photohydrolysis is the main reaction observed with 3-halogenated and it is almost specific. With 2-halogenated, photohydrolysis and photocontraction of the ring compete, the latter being very efficient with 2-halogeno-phenolates.The photochemical behaviour of 4-halogeno-phenols and -anilines is more complex. It depends on both concentration and oxygenation. It was rationalize

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6

Matsuo, Kazuki, Tadashi Yoshitake, Eiji Yamaguchi та Akichika Itoh. "Photoinduced Atom Transfer Radical Addition/Cyclization Reaction between Alkynes or Alkenes with Unsaturated α-Halogenated Carbonyls". Molecules 26, № 22 (2021): 6781. http://dx.doi.org/10.3390/molecules26226781.

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We have developed a photochemical ATRA/ATRC reaction that is mediated by halogen bonding interactions. This reaction is caused by the reaction of malonic acid ester derivatives containing bromine or iodine with unsaturated compounds such as alkenes and alkynes in the presence of diisopropylethylamine under visible light irradiation. As a result of various control experiments, it was found that the formation of complexes between amines and halogens by halogen-bonding interaction occurs in the reaction system, followed by the cleavage of the carbon–halogen bonds by visible light, resulting in th

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7

Zhang, Yu, Jian-Ge Wang, and Weizhou Wang. "Noncovalent Interactions between 1,3,5-Trifluoro-2,4,6-triiodobenzene and a Series of 1,10-Phenanthroline Derivatives: A Combined Theoretical and Experimental Study." Crystals 9, no. 3 (2019): 140. http://dx.doi.org/10.3390/cryst9030140.

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How many strong C−I⋯N halogen bonds can one 1,3,5-trifluoro-2,4,6-triiodobenzene molecule form in a crystal structure? To answer this question, we investigated in detail the noncovalent interactions between 1,3,5-trifluoro-2,4,6-triiodobenzene and a series of 1,10-phenanthroline derivatives by employing a combined theoretical and experimental method. The results of the quantum chemical calculations and crystallographic experiments clearly show that there is a structural competition between a C−I⋯N halogen bond and π⋯π stacking interaction. For example, when there are much stronger π⋯π stacking

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8

Thompson, Laurence K., Sanat K. Mandal, Jean-Pierre Charland, and Eric J. Gabe. "Magnetism and structure in a series of halogen and hydroxo-bridged binuclear copper(II) diazine complexes. Structure of a dibromobridged derivative [Cu2(C14H10N4S2)Br4]." Canadian Journal of Chemistry 66, no. 2 (1988): 348–54. http://dx.doi.org/10.1139/v88-060.

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The ligand PTP (3,6-bis(2-pyridylthio)pyridazine) generates both hydroxo- and halogeno-bridged, square-pyramidal, binuclear copper(II) complexes ([Cu2(PTP)X4] (X = Cl (I), Br (II)); [Cu2(PTP)(OH)X3] (X = Cl (IV), Br (V)), which are antiferromagnetically coupled. The hydroxo-bridged derivatives are more strongly coupled than those with just halogen bridges and within each pair of complexes substantially increased spin exchange is observed for the bromo-derivatives (−2J = 130.5 ± 0.4 (I), 243.5 ± 0.3 (II), 294 ± 3 (IV), 326 ± 6 (V) cm−1). A related halogen-bridged derivative [Cu2(PAP46Me)Cl4] (I

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9

Drzewiecka-Antonik, Aleksandra, Marta Struga, Agnieszka Głogowska, et al. "Synthesis, Structural Characterization and Biological Activity Evaluation of Novel Cu(II) Complexes with 3-(trifluoromethyl)phenylthiourea Derivatives." International Journal of Molecular Sciences 23, no. 24 (2022): 15694. http://dx.doi.org/10.3390/ijms232415694.

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Copper complexes with 1,3-disubstituted thiourea derivatives, all containing 3-(trifluoromethyl)phenyl tail and 1-alkyl/halogen-phenyl substituent, were synthesized. The experimental spectroscopic studies and theoretical calculation revealed that two ligands coordinate to Cu(II) in a bidentate fashion via thiocarbonyl S and deprotonated N atoms of thiourea moiety. Such monomers are characteristic of alkylphenylthiourea complexes, whereas the formation of a sandwich-type dimer is observed for halogeno derivatives. For the first time, the structural identifications of CuN2S2-based complexes usin

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10

Takimiya, K., Y. Kataoka, A. Morikami, Y. Aso, and T. Otsubo. "Halogen substituted tetraselenafulvalene derivatives." Synthetic Metals 120, no. 1-3 (2001): 875–76. http://dx.doi.org/10.1016/s0379-6779(00)00814-6.

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11

Ultée, A. J. "Halogen derivatives of isoprene." Recueil des Travaux Chimiques des Pays-Bas 68, no. 2 (2010): 125–37. http://dx.doi.org/10.1002/recl.19490680204.

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12

Galeotti, Gianluca, Marco Di Giovannantonio, Josh Lipton-Duffin, et al. "The role of halogens in on-surface Ullmann polymerization." Faraday Discussions 204 (2017): 453–69. http://dx.doi.org/10.1039/c7fd00099e.

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Ullmann coupling is the most common approach to form surface-confined one- and two-dimensional conjugated structures from haloaryl derivatives. The dimensions of the formed nanostructures can be controlled by the number and location of halogens within the molecular precursors. Our study illustrates that the type of halogen plays an essential role in the design, orientation, and extent of the surface-confined organometallic and polymeric nanostructures. We performed a comparative analysis of five 1,4-dihalobenzene molecules containing chlorine, bromine, and iodine on Cu(110) using scanning tunn

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13

Thalladi, Venkat R., Hans-Christoph Weiss, Roland Boese, Ashwini Nangia та Gautam R. Desiraju. "A comparative study of the crystal structures of tetrahalogenated hydroquinones and γ-hydroquinone". Acta Crystallographica Section B Structural Science 55, № 6 (1999): 1005–13. http://dx.doi.org/10.1107/s0108768199005911.

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γ-Hydroquinone (1) and its tetrafluoro, tetrachloro and tetrabromo derivatives (2), (3) and (4) adopt crystal structures that have an almost invariant system of O—H...O hydrogen bonds. However, within this O—H...O framework, the four structures display variations that are characteristic of the C—H, C—F, C—Cl and C—Br groups. In the parent compound (1) aromatic rings are packed with a herringbone geometry, whilst in the halogenated derivatives (3) and (4), polarization-type halogen...halogen contacts are optimized. The fluoro derivative (2) is exceptional in that neither of the above possibilit

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14

López-Duplá, Esperanza, Peter G. Jones, and Fabiola Vancea. "Secondary Bonding Interactionsi in Some Di- and Trihaloanilinium Halides." Zeitschrift für Naturforschung B 58, no. 1 (2003): 191–200. http://dx.doi.org/10.1515/znb-2003-0129.

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Abstract Six solvent-free structures of di- and trihaloanilinium halides are presented. All involve clearly defined hydrophilic regions built up from classical hydrogen bonding systems. The 2,4-dibromo-, 2,6- dichloro-, 2,4,6-trichloro- and 2,4,6-tribromoanilinium derivatives form ribbon structures involving annelated R24 (8) rings with NH2 donors (two hydrogens from the positively charged NH3 groups) and halide acceptors. The 2,5-dibromo- and 2,4,5-trichloro derivatives form layers with two types of ring, R24 (8) and R48 (16). All structures also involve other secondary interactions (C-H. . .

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15

Britsun, Vasyl M., Nataliya V. Simurova, Inna V. Popova, and Oleksii V. Simurov. "Modern chemical disinfectants and antiseptics. Part I." Journal of Organic and Pharmaceutical Chemistry 19, no. 3(75) (2021): 3–14. http://dx.doi.org/10.24959/ophcj.21.231997.

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Aim. To generalize and systematize information on the properties of modern chemical disinfectants and antiseptic agents (DA and AA).Results and discussion. The review provides generalized and systematized information on the properties of modern chemical DA and AA – alkylating reagents, aldehydes, amides, amidines, bisguanidines, dyes, halogenated reagents, halogens and their complexes, 2-nitrofuran derivatives. The classification of DA and AA by their chemical structure was carried out. The activity spectra, possible application ways and forms of DA and AA were given. Their toxicity and impact

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16

Mittapalli, Sudhir, D. Sravanakumar Perumalla, Jagadeesh Babu Nanubolu, and Ashwini Nangia. "Thermomechanical effect in molecular crystals: the role of halogen-bonding interactions." IUCrJ 4, no. 6 (2017): 812–23. http://dx.doi.org/10.1107/s2052252517014658.

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The design and synthesis of mechanically responsive materials is interesting because they are potential candidates to convert thermal energy into mechanical work. Reported in this paper are thermosalient effects in a series of halogen derivatives of salinazids. The chloro derivative, with higher electronegativity and a weaker inter-halogen bond strength (Cl...Cl) exhibits an excellent thermal response, whereas the response is weaker in the iodo derivative with stronger I...I halogen bonding. 3,5-Dichlorosalinazid (Compound-A) exists in three polymorphic forms, two room-temperature polymorphs (

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17

Włodarczyk-Makuła, Maria, and Ewa Wiśniowska. "Halogenated Organic Compounds in Water and in Wastewater." Civil and Environmental Engineering Reports 29, no. 4 (2019): 236–47. http://dx.doi.org/10.2478/ceer-2019-0057.

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Abstract Currently, organic halogen compounds (halogen derivatives) are often identified in water. The paper presents the problem of the presence of these newly formed compounds during water treatment processes and their occurrence in sewage. The general indicator determining the content of these compounds in aqueous solutions is the concentration of halogen derivatives of organic compounds adsorbed on activated carbon AOX, which is converted to the concentration of chlorides. The groups of derivatives of halogenated organic compounds containing chlorine and/or bromine in a molecule were chara

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18

Stoesser, J., G. Rojas, D. Bulfield, et al. "Halogen bonding two-point recognition with terphenyl derivatives." New Journal of Chemistry 42, no. 13 (2018): 10476–80. http://dx.doi.org/10.1039/c8nj00962g.

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19

Li, Hua, Haiyang Shu, Xin Wang, et al. "Solid-State Fluorescence Enhancement of Bromine-Substituted Trans-Enaminone Derivatives." Organic Materials 02, no. 01 (2020): 033–40. http://dx.doi.org/10.1055/s-0040-1701249.

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Halogen bonding, as a kind of intermolecular interaction, has rarely been used to tune solid-state emission properties of luminescent materials, especially fluorescent materials. Herein, three trans-enaminone (TE) derivatives (nonbrominated TE, monobrominated BrTE, and tribrominated Br3TE) with aggregation-induced emission property have been designed and synthesized. Two types of BrTE crystals (BrTE-B and BrTE-G) with different fluorescence properties were obtained. It was observed that their solid-state fluorescence has been enhanced by the formation of halogen bonding. In particular, the cry

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20

Benito, Mónica, Yannick Roselló, Miquel Barceló-Oliver, Antonio Frontera, and Elies Molins. "Uracil Derivatives for Halogen-Bonded Cocrystals." International Journal of Molecular Sciences 22, no. 19 (2021): 10663. http://dx.doi.org/10.3390/ijms221910663.

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Among non-covalent interactions, halogen bonding is emerging as a new powerful tool for supramolecular self-assembly. Here, along with a green and effective method, we report three new halogen-bonded cocrystals containing uracil derivatives and 1,2,4,5-tetrafluoro-3,6-diiodobenzene as X-bond donor coformer. These multicomponent solids were prepared both by solvent-drop grinding and solution methods and further characterized by powder and single-crystal X-ray diffraction, Fourier-transformed infrared spectroscopy, and thermal methods (TGA-DSC). In order to study the relative importance of hydro

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21

Frausto, Fanny, Zachary C. Smith, Terry E. Haas, and Samuel W. Thomas III. "Two-dimensional bricklayer arrangements of tolans using halogen bonding interactions." Chemical Communications 51, no. 42 (2015): 8825–28. http://dx.doi.org/10.1039/c5cc02225h.

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22

Stasch, Andreas, Herbert W. Roesky, Denis Vidovic, Jörg Magull, Hans-Georg Schmidt, and Mathias Noltemeyer. "Synthesis of Carbaalane Halogen Derivatives." Inorganic Chemistry 43, no. 12 (2004): 3625–30. http://dx.doi.org/10.1021/ic035460i.

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23

Fernandes, Isabel P. G., Bárbara V. Silva, Bianca N. M. Silva, Angelo C. Pinto, S. Carlos B. Oliveira, and Ana Maria Oliveira-Brett. "Isatin halogen-derivatives redox behaviour." Journal of Electroanalytical Chemistry 780 (November 2016): 75–83. http://dx.doi.org/10.1016/j.jelechem.2016.09.008.

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24

Creste, Geordie, Sihem Groni, Claire Fave, Mathieu Branca, and Bernd Schöllhorn. "Comparative study of non-covalent interactions between cationic N-phenylviologens and halides by electrochemistry and NMR: the halogen bonding effect." Faraday Discussions 203 (2017): 301–13. http://dx.doi.org/10.1039/c7fd00082k.

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Five N-phenylviologen (PV<sup>2+</sup>) derivatives have been synthesized and their electrochemical behavior in the presence of halide anions has been studied. Further investigations were carried out by <sup>1</sup>H and <sup>19</sup>F NMR spectroscopy at different chloride concentrations. This is the first time a systematic study combines cyclic voltammetry and NMR spectroscopy in order to analyse the contribution of halogen bonding among the various non-covalent interactions between iodinated N-phenylviologens. The results show strong evidence for a significant “halogen bonding effect” in th

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25

Kolder, C. R., and H. J. den Hertog. "Migration of halogen atoms in halogeno-derivatives of 2,4-dihydroxypyridine (II)." Recueil des Travaux Chimiques des Pays-Bas 72, no. 10 (2010): 853–58. http://dx.doi.org/10.1002/recl.19530721005.

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26

Havránek, Miroslav, Maksim A. Samsonov, Josef Holub, et al. "The Influence of Halogenated Hypercarbon on Crystal Packing in the Series of 1-Ph-2-X-1,2-dicarba-closo-dodecaboranes (X = F, Cl, Br, I)." Molecules 25, no. 5 (2020): 1200. http://dx.doi.org/10.3390/molecules25051200.

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Although 1-Ph-2-X-closo-1,2-C2B10H10 (X = F, Cl, Br, I) derivatives had been computed to have positive values of the heat of formation, it was possible to prepare them. The corresponding solid-state structures were computationally analyzed. Electrostatic potential computations indicated the presence of highly positive σ-holes in the case of heavy halogens. Surprisingly, the halogen•••π interaction formed by the Br atom was found to be more favorable than that of I.

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27

Wang, Shan-Shan, Ning-Ning Zhang, Ning He, et al. "Exploiting Substrate Diversity of NRPS Led to the Generation of New Sansanmycin Analogs." Natural Product Communications 12, no. 5 (2017): 1934578X1701200. http://dx.doi.org/10.1177/1934578x1701200524.

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Further exploration of substrate diversity of the sansanmycin biosynthetic pathway using available halogen- and methyl-phenylalanines led to the generation of diverse sansanmycin derivatives, either at the single C- or N-terminus alone or at both C- and N-termini. The structures of all of these derivatives were determined by MS/MS spectra, and amongst them, the structures of [2-Cl-Phe]-sansanmycin H (1) and [2-Cl-Phe]-sansanmycin A (2) were further identified by NMR. Both the C-terminal derivative 1 and the N-terminal derivative 2 were assayed for their antibacterial activities, and compound 1

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28

Thakuria, Ranjit, Naba K. Nath, Saikat Roy, and Ashwini Nangia. "Polymorphism and isostructurality in sulfonylhydrazones." CrystEngComm 16, no. 22 (2014): 4681–90. http://dx.doi.org/10.1039/c3ce42301h.

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Five new methyl and halogen derivatives of triaryl sulfonylhydrazone were synthesized to understand polymorphism and isostructurality upon Cl–Me and inter-halogen exchange. Conformational rigidity and sulfonamide dimer synthon control the isostructurality in this family of crystal structures.

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29

Havelková, Martina, Martin Studenovský, and Dalimil Dvořák. "N1-Substituted Hypoxanthine Derivatives from the Reaction of 6-Halopurines with Michael Acceptors Under the Conditions of Heck Reaction." Collection of Czechoslovak Chemical Communications 65, no. 5 (2000): 797–804. http://dx.doi.org/10.1135/cccc20000797.

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The reaction of 6-iodo-, 9-benzyl-6-chloropurine and 7-benzyl-6-chloropurine with butyl acrylate, acrylonitrile, methyl vinyl ketone or methyl methacrylate under conditions of the Heck reaction in the presence of TlOAc or AgOAc afforded N1-alkylhypoxanthine derivatives. Formation of these unexpected products can be rationalised as a Tl+- or Ag+-assisted substitution of halogen with acetate anion. The 6-acetoxypurine derivative thus formed then eliminates ketene and gives 7-benzyl- or 9-benzylhypoxanthine. Conjugate addition of these compounds onto Michael acceptors furnishes the N1-substituted

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30

Rajakumar, K., D. A. Zherebtsov, S. А. Nayfert, A. А. Osipov, S. A. Adonin, and D. V. Spiridonova. "Structure of inorganic compounds halogen bonds in derivatives of 2,5-diiod-1,4-dimethylbenzene." Kristallografiâ 69, no. 4 (2024): 612–19. http://dx.doi.org/10.31857/s0023476124040062.

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The synthesis of 1,4-di(bromomethyl)-2,5-diiodo-benzene (1), diacetate of 2,5-diiodo–1,4-di(hydroxymethyl)benzene (2) and diiodide of 1,1’-[(2,5-diiodo-1,4-phenylene)bis(methylene)]dipyridinium (3) is described and their crystallographic data are given. All three crystal structures are characterized by the stacked packing of planar molecules and the presence of halogen bonds I–Br, I–O, and I–I, respectively. The number of halogen bonds is maximum in compound 1: two I–Br bonds for each halogen atom. Compounds 2 and 3 contain one halogen bond per halogen atom, but they are significantly shorter

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31

Constantin, Timothée, Bartosz Górski, Michael J. Tilby, et al. "Halogen-atom and group transfer reactivity enabled by hydrogen tunneling." Science 377, no. 6612 (2022): 1323–28. http://dx.doi.org/10.1126/science.abq8663.

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The generation of carbon radicals by halogen-atom and group transfer reactions is generally achieved using tin and silicon reagents that maximize the interplay of enthalpic (thermodynamic) and polar (kinetic) effects. In this work, we demonstrate a distinct reactivity mode enabled by quantum mechanical tunneling that uses the cyclohexadiene derivative γ-terpinene as the abstractor under mild photochemical conditions. This protocol activates alkyl and aryl halides as well as several alcohol and thiol derivatives. Experimental and computational studies unveiled a noncanonical pathway whereby a c

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32

Burguera, Sergi, Rosa M. Gomila, Antonio Bauzá, and Antonio Frontera. "Chalcogen Bonds, Halogen Bonds and Halogen···Halogen Contacts in Di- and Tri-iododiorganyltellurium(IV) Derivatives." Inorganics 11, no. 5 (2023): 209. http://dx.doi.org/10.3390/inorganics11050209.

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In this manuscript, we have examined the CSD (Cambridge Structural Database) to investigate the relative ability of Te and I (in practice, the heaviest chalcogen and halogen atoms) in di- and tri-iododiorganyltellurium(IV) derivatives to establish σ-hole interactions. The geometry around the Te(IV) in this type of compound is trigonal bipyramidal where the stereoactive lone pair at Te(IV) occupies one of the equatorial positions. In the solid state, Te(IV) tends to form pseudo-octahedral coordination by establishing strong noncovalent interactions opposite to the two covalent bonds of the equa

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33

Popović, M., S. Trivić, J. Zlinska, V. Vojnović, and M. Ban. "METABOLISM OF HALOGEN DERIVATIVES OF HYDROCARBONS." Praxis medica 39, no. 1 (2011): 143–47. http://dx.doi.org/10.70949/pramed201101411p.

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&lt;p&gt;In this review paper, metabolism of halogen derivatives of hydrocarbons (chloroform, polychlorinated biphenyls, freons) is shown. They are metabolized similar by mixed function oxidases (reductive or oxidative pathways). Their metabolites are toxic.&lt;/p&gt;

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34

Ziemniak, Marcin, Anna Zawadzka-Kazimierczuk, Sylwia Pawlędzio, et al. "Experimental and Computational Studies on Structure and Energetic Properties of Halogen Derivatives of 2-Deoxy-D-Glucose." International Journal of Molecular Sciences 22, no. 7 (2021): 3720. http://dx.doi.org/10.3390/ijms22073720.

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The results of structural studies on a series of halogen-substituted derivatives of 2-deoxy-D-glucose (2-DG) are reported. 2-DG is an inhibitor of glycolysis, a metabolic pathway crucial for cancer cell proliferation and viral replication in host cells, and interferes with D-glucose and D-mannose metabolism. Thus, 2-DG and its derivatives are considered as potential anticancer and antiviral drugs. X-ray crystallography shows that a halogen atom present at the C2 position in the pyranose ring does not significantly affect its conformation. However, it has a noticeable effect on the crystal stru

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35

Topkaya, Derya, Philippe Arnoux, and Fabienne Dumoulin. "Modulation of singlet oxygen generation and amphiphilic properties of trihydroxylated monohalogenated porphyrins." Journal of Porphyrins and Phthalocyanines 19, no. 10 (2015): 1081–87. http://dx.doi.org/10.1142/s1088424615500893.

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Two of the properties important for photodynamic therapy applications are systematically investigated on a trihydroxylated monohalogenated porphyrin core. Singlet oxygen generation can be increased thanks to the heavy atom effect, frequently provided by the introduction of halogen atoms on the photosensitizer. We compare the effect of the presence of the four halogen atoms with the analogous halogen-free porphyrin. Cell uptake is crucial as well for successful photodynamic outcome and is directly related to the amphiphilicity of the molecule. The five derivatives bearing H, F, Cl, Br or I atom

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36

Ateş, Özge Dilara, Yunus Zorlu, Sibel Demir Kanmazalp, Yurii Chumakov, Ayşe Gül Gürek, and Mehmet Menaf Ayhan. "Halogen bonding driven crystal engineering of iodophthalonitrile derivatives." CrystEngComm 20, no. 27 (2018): 3858–67. http://dx.doi.org/10.1039/c8ce00594j.

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37

Begunov, R. S., D. O. Egorov, A. V. Chetvertakova, L. I. Savina, and A. A. Zubishina. "Antibacterial Activity of the Halogen- and Nitro Derivatives of Benzimidazole Against <i>Bacillus Subtilis</i>." Antibiotics and Chemotherapy 68, no. 3-4 (2023): 19–24. http://dx.doi.org/10.37489/0235-2990-2023-68-3-4-19-24.

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Background. Antibiotic resistance of bacteria is a serious concern for modern medicine. The search for new compounds with a pronounced antibacterial effect is an urgent task of pharmaceutical chemistry. The aim of the study was to assess nfluence of the structure of benzimidazole and its derivatives the ability to inhibit the growth of gram-positive bacteria Bacillus subtilis. Materials and methods. Antibacterial activity of diazaheterocycles was evaluated by the method of serial dilutions. Сoncentrations from 0,06 to 1000 µg/l were used. Тhe minimum inhibitory concentration (MIC) of benzimida

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Pham, Tuan Anh, Fei Song, Manh-Thuong Nguyen, and Meike Stöhr. "Self-assembly of pyrene derivatives on Au(111): substituent effects on intermolecular interactions." Chem. Commun. 50, no. 91 (2014): 14089–92. http://dx.doi.org/10.1039/c4cc02753a.

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Frey, Matthias, and Peter G. Jones. "Secondary Bonding Interactions in Some Halopyridinium and Dihalopyridinium Halides." Zeitschrift für Naturforschung B 56, no. 9 (2001): 889–96. http://dx.doi.org/10.1515/znb-2001-0905.

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Abstract The packing motifs of 2-and 3-chloropyridinium chloride can be interpreted in terms of classical hydrogen bonds N+-H···Cl- and non-classical C-H···Cl-" interactions, with halo-gen-halogen contacts playing a subordinate role. In the corresponding bromine derivatives, Br···Br interactions are much more important. Of the dihalo derivatives, 3,5-dichloropyridinium chloride crystallises with classical linear hydrogen bonds of the form N+-H···Cl- , but its chlorine-chlorine interactions are at best weak; the corresponding bromine derivative displays aggregates of bromine atoms and three-cen

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Jyoti, Chaudhary. "FTIR Spectroscopic Analysis of Pyrimidine Derivatives: A Comprehensive Review." Applied Science and Biotechnology Journal for Advanced Research 4, no. 2 (2025): 1–5. https://doi.org/10.5281/zenodo.15369611.

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This review paper provides an in-depth analysis of the application of Fourier Transform Infrared (FTIR) spectroscopy in the study of pyrimidine derivatives. Pyrimidine ring is a core framework of many biologically active molecules such as pharmaceuticals and agrochemicals. Fourier Transform Infrared (FTIR) spectroscopy is a valuable method for structural elucidation and characterization of pyrimidine derivatives. In this review, the FTIR spectral characteristics of pyrimidine-containing compounds are analysed in detail with special emphasis on characteristic vibrational modes of the pyrimidine

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Nwachukwu, Chideraa I., Nathan P. Bowling та Eric Bosch. "C—I...N and C—I...π halogen bonding in the structures of 1-benzyliodoimidazole derivatives". Acta Crystallographica Section C Structural Chemistry 73, № 1 (2017): 2–8. http://dx.doi.org/10.1107/s2053229616018702.

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Halogen bonding is a well-established and intensively studied intermolecular interaction that has also been used in the preparation of functional materials. While polyfluoroiodo- and polyfluorobromobenzenes have been widely used as aromatic halogen-bond donors, there have been very few studies of iodoimidazoles with regard to halogen bonding. We describe here the X-ray structures of three iodoimidazole derivatives, namely 1-benzyl-2-iodo-1H-imidazole, C10H9IN2, (1), 1-benzyl-4-iodo-1H-imidazole, C10H9IN2, (2), and 1-benzyl-2-iodo-1H-benzimidazole, C14H11IN2, (3), and the halogen bonds that dom

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Tu, Jin, Yunhao Fan, Jiaqiang Wang, et al. "Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties." Journal of Materials Chemistry C 7, no. 39 (2019): 12256–62. http://dx.doi.org/10.1039/c9tc03515j.

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Matsui, Ryosuke, Erina Niijima, Tomomi Imai, et al. "Intermolecular Halogen Bond Detected in Racemic and Optically Pure N-C Axially Chiral 3-(2-Halophenyl)quinazoline-4-thione Derivatives." Molecules 27, no. 7 (2022): 2369. http://dx.doi.org/10.3390/molecules27072369.

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The halogen bond has been widely used as an important supramolecular tool in various research areas. However, there are relatively few studies on halogen bonding related to molecular chirality. 3-(2-Halophenyl)quinazoline-4-thione derivatives have stable atropisomeric structures due to the rotational restriction around an N-C single bond. In X-ray single crystal structures of the racemic and optically pure N-C axially chiral quinazoline-4-thiones, we found that different types of intermolecular halogen bonds (C=S⋯X) are formed. That is, in the racemic crystals, the intermolecular halogen bond

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Penner, Samuel C., Maryam Kalvandi, and Jamie S. Ritch. "A structural study of 2,4-dimethylaniline derivatives." Acta Crystallographica Section E Crystallographic Communications 74, no. 9 (2018): 1276–80. http://dx.doi.org/10.1107/s2056989018011404.

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Crystallographic studies of nitrogen-containing small molecules aid in the elucidation of their structure–activity relationships and modes of aggregation. In this study, two previously synthesized molecules are crystallographically characterized for the first time. Reaction of 2,4-dimethylaniline with N-bromosuccinimide affords the ortho-brominated derivative 2-bromo-4,6-dimethylaniline (1; C8H10BrN), which sublimates in vacuo to afford crystals featuring hydrogen-bonded chains as well as Type I halogen–halogen interactions. Conversely, alkylation of two equivalents of 2,4-dimethylaniline with

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Przybył, Anna K., and Maciej Kubicki. "The Role of Halogen Bonding in Crystal Structures of 3-Halogeno Cytisine Derivatives." Journal of Chemical Crystallography 42, no. 7 (2012): 685–90. http://dx.doi.org/10.1007/s10870-012-0300-2.

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Gargala, Gilles, Laetitia Le Goff, Jean-Jacques Ballet, Loic Favennec, Andrew V. Stachulski, and Jean-François Rossignol. "Evaluation of New Thiazolide/Thiadiazolide Derivatives Reveals Nitro Group-Independent Efficacy against In Vitro Development of Cryptosporidium parvum." Antimicrobial Agents and Chemotherapy 54, no. 3 (2010): 1315–18. http://dx.doi.org/10.1128/aac.00614-09.

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ABSTRACT Thirty-nine new thiazolide/thiadiazolide compounds were compared with the nitrothiazole nitazoxanide for activity against Cryptosporidium parvum development in HCT-8 cells. Twenty-seven agents exerted ≥90% inhibition. Agents with a lower 50% inhibitory concentration (IC50) than nitazoxanide were either NO2 or halogen 5 substituted on the thiazole moiety. Other 5 substitutions such as methyl, C3H7, C6H11, H, SO2CH3, and SCH3 negatively impacted activity. Five-substituted deacetylated analogues exhibited higher IC50s than their acetylated counterparts. Halogeno-thiazolide/thiadiazolides

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Chebotarev, Alexander, Dmytro Barbalat, Olena Guzenko, Mariya Zherebko, and Denys Snigur. "COMPLEXATION OF MOLIBDENUM(VI) WITH 6,7-DIHYDROXY-4-METHYL-2-PHENYLCHROMENYLIUM AND ITS HALOGEN DERIVATIVES IN SOLUTIONS." Ukrainian Chemistry Journal 86, no. 3 (2020): 26–34. http://dx.doi.org/10.33609/0041-6045.86.3.2020.26-34.

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It was determined the chemico-analytical characteristics and composition of the complexes formed in the Mo(VI)–DOCh systems. The composition of the complexes (Mo(VI):DOCh = 1:2) was found by spectrophotometric methods (molar ratios, equilibrium shift). A probable complex chemistry was proposed based on a combination of spectrophotometric and mass- spectrometric data. It was shown that the MoO22+ cation acts as a complexing agent, and the ligand enters into the reaction in the form of an anhydrobase. It was found, that halogen-containing derivatives of MPDOCh form more intensely colored and sta

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Mao, Ben, Xiao-Yu Zhang, Yin Wei та Min Shi. "Visible-light-mediated intramolecular radical cyclization of α-brominated amide-tethered alkylidenecyclopropanes". Chemical Communications 58, № 22 (2022): 3653–56. http://dx.doi.org/10.1039/d1cc07136j.

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Chini, Maria Giovanna, Claudia Ferroni, Vincenza Cantone, et al. "Elucidating new structural features of the triazole scaffold for the development of mPGES-1 inhibitors." MedChemComm 6, no. 1 (2015): 75–79. http://dx.doi.org/10.1039/c4md00319e.

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Zheng, Yan-Zhen, Nan-Nan Wang, Yu Zhou, and Zhi-Wu Yu. "Halogen-bond and hydrogen-bond interactions between three benzene derivatives and dimethyl sulphoxide." Phys. Chem. Chem. Phys. 16, no. 15 (2014): 6946–56. http://dx.doi.org/10.1039/c3cp55451a.

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