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Journal articles on the topic 'Pyridine (nitro)'

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Published: 4 June 2021

Last updated: 8 February 2022

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1

Dyall, LK, and WM Wah. "Pyrolysis of Aryl Azides. VI. Identification of Neighbouring Group Effects in Pyrolysis of Azidopyridines and Azidoquinolines." Australian Journal of Chemistry 38, no. 7 (1985): 1045. http://dx.doi.org/10.1071/ch9851045.

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Although there are literature reports of anomalous behaviour on pyrolysis of ortho-nitroazido-pyridines and ortho-nitroazidoquinolines, we find that these compounds cyclize to the expected furazan 1-oxides in near-quantitative yields, and with a high degree of neighbouring group participation by the nitro group. Kinetic studies in decalin solution reveal the following rate enhancements by the ortho-nitro group: 3-azido-2-nitropyridine, 466 at least; 4-azido-3-nitropyridine, 5400; 4-azido-3,5-dinitropyridine, 640; 4-azido-3-nitroquinoline, 82.4; 5-azido-6-nitroquinoline, 27.6; 2-nitro-1-azidona

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2

Al-Trawneh, Salah A., Amer H. Tarawneh, Anastassiya V. Gadetskaya, et al. "Synthesis and Cytotoxicity of Thieno[2,3-b]Pyridine Derivatives Toward Sensitive and Multidrug-Resistant Leukemia Cells." Acta Chimica Slovenica 68, no. 2 (2021): 458–65. http://dx.doi.org/10.17344/acsi.2020.6609.

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A new series of substituted ethyl 7-cyclopropyl-2-(2-aryloxo)-3-nitro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylates 3a–e were prepared by utilizing ethyl 2-chloro-7-cyclopropyl-3-nitro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate (1) and replacing of the 2-chlorine with anions obtained from phenol (2a), salicylaldehyde derivatives 2b–d or thiophenol (2e), leading to the respective ethyl 7-cyclopropyl-2-(2-aryloxo)-3-nitro-4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylates 3a–e. The new compounds were evaluated for their in vitro cytotoxicity towards sensitive CCRF-CEM and mu

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3

Bakke, J. M. "Nitropyridines: Synthesis and reactions." Pure and Applied Chemistry 75, no. 10 (2003): 1403–15. http://dx.doi.org/10.1351/pac200375101403.

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Reaction of pyridine and substituted pyridines with N2O5 in an organic solvent gives the N-nitropyridinium ion. When this is reacted with SO2/HSO3– in water, 3-nitropyridine is obtained (77 % yield). With substituted pyridines, the method gives good yields for 4-substituted and moderate yields for 3-substituted pyridines. The reaction mechanism is not an electrophilic aromatic substitution, but one in which the nitro group migrates from the 1-position to the 3-position by a [1,5 ] sigmatropic shift. From 4-aminopyridine, imi- dazo [4,5-c ] pyridines have been synthesized. From 3-nitropyridine,

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4

Palasek, B., A. Puszko, Z. Biedrzycka, W. Sicinska, and M. Witanowski. "Nitrogen NMR shieldings of 2-amino-5-nitro-6-methylpyridines." Spectroscopy 13, no. 4 (1997): 251–56. http://dx.doi.org/10.1155/1997/304503.

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Nitrogen NMR shieldings (chemical shifts) of 2-amino-5-nitro-6-methylpyridine derivatives are assessed from the point of view of substituent-induced effects under conditions where alkyl, aryl, nitro, and nitroso moieties are substituents at the amino nitrogen. The nitro nitrogen shielding reveals only little variation upon varying the substituents, and this seems to indicate that steric hindrance which is likely to force the nitro group out of the plane of the aromatic ring reduces theπ-electron conjugation with the latter, and with the amino group as well. On the other side, the pyridine nitr

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5

Ohba, Shigeru, Masanobu Tsuchimoto, and Hiroki Miyazaki. "Investigation of nitro–nitrito photoisomerization: crystal structures of trans-bis(acetylacetonato-O,O′)(pyridine/4-methylpyridine/3-hydroxypridine)nitrocobalt(III)." Acta Crystallographica Section E Crystallographic Communications 74, no. 11 (2018): 1637–42. http://dx.doi.org/10.1107/s2056989018014731.

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The reaction cavities of the nitro groups in the title compounds, trans-bis(acetylacetonato-κ2 O,O′)(nitro)(pyridine-κN)cobalt(III), [Co(C5H7O2)2(NO2)(C5H5N)], (I), trans-bis(acetylacetonato-κ2 O,O′)(4-methylpyridine-κN)(nitro)cobalt(III), [Co(C5H7O2)2(NO2)(C6H7N)], (II), and trans-bis(acetylacetonato-κ2 O,O′)(3-hydroxypyridine-κN)(nitro)cobalt(III) monohydrate, [Co(C5H7O2)2(NO2)(C5H5NO)]·H2O, (III), have been investigated to reveal that bifurcated intermolecular C(py)—H...O,O contacts in (III) are unfeasible for the nitro–nitrito photochemical linkage isomerization process. In each structure,

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6

Ma, Congming, Yong Pan, Juncheng Jiang, Zuliang Liu, and Qizheng Yao. "Synthesis and thermal behavior of a fused, tricyclic pyridine-based energetic material: 4-amino-5-nitro-[1,2,5]oxadiazolo[3,4-e]tetra-zolo[1,5-a]pyridine-3-oxide." New Journal of Chemistry 42, no. 14 (2018): 11259–63. http://dx.doi.org/10.1039/c8nj01341a.

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7

Liu, T., and J. Y. Zhu. "N′-(3-Nitro-4-pyridylcarbonyl)pyridine-4-carbohydrazide." Acta Crystallographica Section E Structure Reports Online 63, no. 12 (2007): o4574. http://dx.doi.org/10.1107/s1600536807054876.

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8

Hansen, Lars Kr, Freddy Tjosås, and Anne Fiksdahl. "Methyl 5-nitro-2-(phenylamino)pyridine-4-carboxylate." Acta Crystallographica Section E Structure Reports Online 62, no. 9 (2006): o3728—o3729. http://dx.doi.org/10.1107/s1600536806030546.

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9

Türker, Lemi, Selçuk Gümüş, and Taner Atalar. "A DFT Study on Nitro Derivatives of Pyridine." Journal of Energetic Materials 28, no. 2 (2010): 139–71. http://dx.doi.org/10.1080/07370650903273224.

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10

Perjéssy, Alexander, Danuta Rasala, Piotr Tomasik, and Ryszard Gawinecki. "The wavenumbers of NO2 stretching vibrations and transmission of substituent effects in 2- and 4-substituted 3-nitropyridine series." Collection of Czechoslovak Chemical Communications 50, no. 11 (1985): 2443–52. http://dx.doi.org/10.1135/cccc19852443.

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The wavenumbers of both the symmetric and asymmetric stretching vibrations of the nitro group were measured in chloroform for the series of 2-X- and 4-X-substituted 3-nitropyridines as well as for o-X-substituted nitrobenzenes. The νas(NO2) and νs(NO2) values of both nitropyridine series were compared with those of corresponding nitrobenzenes. It has been found that the substituent effects in pyridines are transmitted to the 3-nitro group more readily from the 4-position, than from the 2-position. This transmission in 2-X-substituted 3-nitropyridines is comparable with that in the series of o-

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11

Babushkina, T. A., K. G. Konopleva, A. L. Tupoleva, et al. "NQR Investigation of Intercalates and Complexes of Cadmium and Lead Iodides with Pyridine, Aniline, and Piperidine." Zeitschrift für Naturforschung A 55, no. 1-2 (2000): 139–44. http://dx.doi.org/10.1515/zna-2000-1-224.

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127I and 14N NQR have been investigated in two cadmium idodide -pyridine compounds, the inter-calate CdI2 +5.9 pyridine and the CdI2Py2 complex. In the intercalate, iodine is mainly ionic and nitro-gen like in pure pyridine; in the complex, iodine exhibits 30% covalency while nitrogen, coordinated to the central cadmium atom of the complex, and presents coupling constants e2Qq and η smaller than in pure pyridine. The difference between the two compounds is also revealed by the thermal coefficient of the quadrupole coupling constants and the relaxation. Results on the other title compounds are

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12

Bock, Hans, Norbert Nagel, and Peter Eller. "Wechselwirkungen in Molekülkristallen, 154 [1 - 3]. Wirt/Gast-Einschlußverbindungen von N,N'-Ditosyl-p-phenylendiamin- Derivaten: Die Kristallstrukturen von N,N'-Di(4-nitro-benzosulfuryl)-p- phenylendiamin und seinen Wasserstoffbrücken-Addukten mit Cyclopentanon, Cyclohexanon, Tetrahydrofuran, N,N-Dimethylformamidsowie Pyridin / Interactions in Molecular Crystals, 154 [1 - 3]. Host/Guest-Inclusion Compounds of N,N'-Ditosyl-p-phenylenediamine Derivatives: The Crystal Structures of N,N'-Di(4- nitro-benzosulfuryl)-p-phenylenediamine and its Hydrogen-Bonded Adducts with Cyclopentanone, Cyclohexanone, Tetrahydrofurane, N,N-Dimethylformamide as well as Pyridine." Zeitschrift für Naturforschung B 54, no. 4 (1999): 501–14. http://dx.doi.org/10.1515/znb-1999-0414.

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Based on preceeding investigations on the crystallization and structures of 13 inclusion compounds with a variety of guest molecules in the host matrix of N,N′-Ditosyl-p-phenylenediamine, the crystal structures of N,N′-Di(4-nitro-benzosulfuryl)-p-phenylenediamine and the five hydrogen bond acceptor molecules cyclopentanone, cyclohexanone, tetrahydrofurane, N,N-dimethylformamide, and pyridine are reported and discussed. In all of the host/guest aggregates formed, the planes of the (4-nitro)phenyl substituents are more strongly twisted out of the p-phenylene plane than in the guest-free host cry

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13

Galmés, Bartomeu, Antonio Franconetti та Antonio Frontera. "Nitropyridine-1-Oxides as Excellent π-Hole Donors: Interplay between σ-Hole (Halogen, Hydrogen, Triel, and Coordination Bonds) and π-Hole Interactions". International Journal of Molecular Sciences 20, № 14 (2019): 3440. http://dx.doi.org/10.3390/ijms20143440.

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In this manuscript, we use the primary source of geometrical information, i.e., Cambridge Structural Database (CSD), combined with density functional theory (DFT) calculations (PBE0-D3/def2-TZVP level of theory) to demonstrate the relevance of π-hole interactions in para-nitro substituted pyridine-1-oxides. More importantly, we show that the molecular electrostatic potential (MEP) value above and below the π–hole of the nitro group is largely influenced by the participation of the N-oxide group in several interactions like hydrogen-bonding (HB) halogen-bonding (XB), triel bonding (TrB), and fi

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14

Pohl, Radek, Viktor Prutianov, and Svatava Smrčková-Voltrová. "Nucleophilic Substitution in a Series of 4-Nitronicotinic Acid 1-Oxide Derivatives." Collection of Czechoslovak Chemical Communications 60, no. 7 (1995): 1170–77. http://dx.doi.org/10.1135/cccc19951170.

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Nucleophilic substitution of the nitro group in 4-nitro-3-pyridinecarboxanilide 1-oxide (IIa) afforded 4-hydroxy- (IIb), 4-chloro- (IIc), 4-methoxy- (IId), 4-ethoxy- (IIe), and 4-dimethylamino-3-pyridinecarboxanilide (IIf). The 1H and 13C NMR chemical shifts of the pyridine moiety were correlated with the Hammett constants of the substituent in position 4, with the exception of compound IIb. The reason of this phenomenon is discussed.

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15

Majerz, I., and A. Koll. "Structural manifestations of proton transfer in complexes of 2,6-dichlorophenols with pyridines." Acta Crystallographica Section B Structural Science 60, no. 4 (2004): 406–15. http://dx.doi.org/10.1107/s0108768104010365.

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DFT B3LYP/6-31G(d,p) calculations were performed to describe the proton transfer reaction pathway in the 2,6-dichlorophenolate of pyridine. The aim of these calculations was to establish the character of the dependence of the structure parameters on the proton transfer and comparing the results with known structures, e.g. the 2,6-dichloro-4-nitro- and pentachlorophenolates of pyridines. To make this comparison more reliable, the calculations were repeated with the use of a reaction-field correction with the Onsager radius and electric permittivity taken from the solid-state measurements. The c

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16

Ohba, Shigeru, Masanobu Tsuchimoto, and Naoki Yamada. "Investigation of nitro–nitrito photoisomerization: crystal structures of trans-{2,2′-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}(pyridine/4-methylpyridine)nitrocobalt(III)." Acta Crystallographica Section E Crystallographic Communications 74, no. 12 (2018): 1759–63. http://dx.doi.org/10.1107/s2056989018015487.

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The reaction cavities of the nitro groups in the title compounds, trans-{2,2′-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ4 O,N,N′,O′}(nitro-κN)(pyridine-κN)cobalt(III), [Co(C16H14N2O2)(NO2)(C5H5N)], (I), and trans-{2,2′-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ4 O,N,N′,O′}(4-methylpyridine-κN)(nitro-κN)cobalt(III), [Co(C16H14N2O2)(NO2)(C6H7N)], (II), have been investigated to reveal that the intermolecular CMe—H...O(nitro) contacts in (II) are unfeasible for the nitro–nitrito photochemical linkage isomerization process. In (I), there are two independent complexes showing

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17

Heynderickx, A., V. Lokshin, A. Samat, ,. R. Guglielmetti, and G. Pépe. "Crystal structure of 2-(4-nitro-2-ethylsulfonylbenzyl)pyridine, C14H14N2O4S." Zeitschrift für Kristallographie - New Crystal Structures 215, no. 4 (2000): 553–54. http://dx.doi.org/10.1515/ncrs-2000-0441.

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18

Kondo, T., N. Ogasawara, R. Ito, et al. "Structure of 5-nitro-2-{[(S)-1-phenylethyl]amino}pyridine." Acta Crystallographica Section C Crystal Structure Communications 44, no. 1 (1988): 102–4. http://dx.doi.org/10.1107/s0108270187008047.

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19

Barachevsky, V. A., T. M. Valova, L. S. Atabekyan, and A. V. Lyubimov. "Negative photochromism of water-soluble pyridine-containing nitro-substituted spiropyrans." High Energy Chemistry 51, no. 6 (2017): 415–19. http://dx.doi.org/10.1134/s0018143917060029.

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20

Jeffery, David W., Rolf H. Prager, and Max R. Taylor. "Ethyl 6-nitro-2-phenylaminoimidazo[1,2-a]pyridine-3-carboxylate." Acta Crystallographica Section E Structure Reports Online 57, no. 10 (2001): o980—o982. http://dx.doi.org/10.1107/s1600536801015574.

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21

Jiang, Qin, Zijian Guo, Yao Zhao, Fuyi Wang, and Lanqun Mao. "In vivo fluorescence sensing of the salicylate-induced change of zinc ion concentration in the auditory cortex of rat brain." Analyst 140, no. 1 (2015): 197–203. http://dx.doi.org/10.1039/c4an01443j.

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This study demonstrates a fluorescence method forin vivosensing of the dynamic change of Zn<sup>2+</sup>concentration in auditory cortex microdialysates induced by salicylate withN′-(7-nitro-2,1,3-benzoxadiazole-4-yl)-N,N,N′-tris(pyridine-2-ylmethyl) ethane-1,2-diamine (NBD-TPEA) as a probe.

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22

Lawrance, GA, BW Skelton, AH White, and P. Comba. "An Unusual Cleavage and Macrocyclization in the Zinc-Aqueous Acid Reduction of [2-Methyl-2-Nitro-N,N'-Bis(Pyridin-2-Ylmethyl)-Propane-1,3-Diamine]Coppe R(II) Cation - Crystal-Structure of the (6,13-Dimethyl-1,4,8,11-Tetraazacyclotetradecane-6,13-Diamine)Copper(II) Perchlorate Product." Australian Journal of Chemistry 39, no. 7 (1986): 1101. http://dx.doi.org/10.1071/ch9861101.

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Reduction of [2-methyl-2-nitro-N,N?-bis(pyridin-2-ylmethyl)propane- 1,3-diamine]copper(II) with zinc in aqueous hydrochloric acid and subsequent recomplexation yields the macromonocyclic complex (6,13-dimethyl-1,4,8,11-tetraazacyclotetradecane-6,13-diamine)copper(II) perchlorate as the major product, apparently by cleavage of both pyridine rings from the precursor ligand and direct recombination of two saturated residues. Catalytic reduction of the nitro group in the precursor compound can be achieved cleanly over palladium-carbon with hydrogen. The macrocyclic complex crystallized in the spac

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23

Opletalová, Veronika, Milan Pour, Jiří Kuneš, et al. "Synthesis and Biological Evaluation of (E)-3-(Nitrophenyl)-1-(pyrazin-2-yl)prop-2-en-1-ones." Collection of Czechoslovak Chemical Communications 71, no. 1 (2006): 44–58. http://dx.doi.org/10.1135/cccc20060044.

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The title (E)-(3-nitrophenyl)-1-(pyrazin-2-yl)prop-2-en-1-ones were prepared by the Claisen- Schmidt condensation of acetylpyrazines and 2-nitro-, 3-nitro- and 4-nitrobenzaldehyde in pyridine using diethylamine as the catalyst. The compounds were bioassayed for in vitro antifungal, antimycobacterial and photosynthesis-inhibiting activity. The high potency of (E)-1-(5-tert-butylpyrazin-2-yl)-3-(4-nitrophenyl)prop-2-en-1-one againstMycobacterium tuberculosis(MIC 0.78 μg/ml) and moderate activities of several compounds againstTrichophyton mentagrophytesandCandidaspp. do not support the assumption

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24

Rahimizadeh, Mohammad, Mehdi Pordel, Mehdi Bakavoli, Hossein Eshghi, and Ali Shiri. "Vicarious nucleophilic substitution in nitro derivatives of imidazo[1,2-a]pyridine." Mendeleev Communications 19, no. 3 (2009): 161–62. http://dx.doi.org/10.1016/j.mencom.2009.05.017.

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25

Patel, Harun, Harsha Jadhav, Iqrar Ansari, Rahul Pawara, and Sanjay Surana. "Pyridine and nitro-phenyl linked 1,3,4-thiadiazoles as MDR-TB inhibitors." European Journal of Medicinal Chemistry 167 (April 2019): 1–9. http://dx.doi.org/10.1016/j.ejmech.2019.01.073.

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26

Pierre, M., P. L. Baldeck, D. Block, R. Georges, H. P. Trommsdorff, and J. Zyss. "Electronic spectra of 4-nitro-pyridine-n-oxyde (NPO) single crystals." Chemical Physics 156, no. 1 (1991): 103–11. http://dx.doi.org/10.1016/0301-0104(91)87042-t.

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27

Wang, Li, and Hui Li. "Methyl 1-methyl-8-nitro-5-oxo-1,2,3,5-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate." Acta Crystallographica Section E Structure Reports Online 63, no. 11 (2007): o4427. http://dx.doi.org/10.1107/s1600536807051379.

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In the title compound, C10H11N3O5, the dihedral angle between the fused pyridine and imidazolidine ring planes is 4.88 (12)°. The crystal structure is stabilized by weak C—H...O intermolecular interactions.

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28

Naumov, Pance, and Yuji Ohashi. "Packing-dependent photochromism: the case of photoinduced intramolecular proton transfer in 6-(2′,4′-dinitrobenzyl)-2,2′-bipyridine." Acta Crystallographica Section B Structural Science 60, no. 3 (2004): 343–49. http://dx.doi.org/10.1107/s0108768104005506.

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A new photoactive monoclinic polymorph (γ-form) of 6-(2′,4′-dinitrobenzyl)-2,2′-bipyridine was obtained from an acetone–methanol solution. The crystal structure was compared with those of two polymorphs reported previously (photoactive orthorhombic α-form and photoinactive monoclinic β-form) and with structures of related nitrobenzylpyridines to explain the relation between the structure and photochromism. The comparison of the reaction cavities around the reactive pyridyl–benzyl–nitro fragment among the polymorphs and related nitrobenzylpyridines revealed that a crucial factor for photochromi

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29

Yang, Haozhe, Simone Budow, Henning Eickmeier, Hans Reuter, and Frank Seela. "1,7-Dideaza-2′-deoxy-6-nitronebularine: a pyrrolo[2,3-b]pyridine nucleoside with an intramolecular hydrogen bond stabilizing thesynconformation." Acta Crystallographica Section C Crystal Structure Communications 69, no. 8 (2013): 892–95. http://dx.doi.org/10.1107/s0108270113016922.

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The title compound [systematic name: 1-(2-deoxy-β-D-erythro-pentofuranosyl)-4-nitro-1H-pyrrolo[2,3-b]pyridine], C12H13N3O5, forms an intramolecular hydrogen bond between the pyridine N atom as acceptor and the 5′-hydroxy group of the sugar residue as donor. Consequently, the N-glycosylic bond exhibits asynconformation, with a χ torsion angle of 61.6 (2)°, and the pentofuranosyl residue adopts a C2′-endoenvelope conformation (2E,S-type), withP= 162.1 (1)° and τm= 36.2 (1)°. The orientation of the exocyclic C4′—C5′ bond is +sc(gauche,gauche), with a torsion angle γ = 49.1 (2)°. The title nucleos

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30

Koudad, Mohamed, Abdelmalik Elaatiaoui, Noureddine Benchat, Mohamed Saadi, and Lahcen El Ammari. "Crystal structure of 2-(4-methoxyphenyl)-6-nitroimidazo[1,2-a]pyridine-3-carbaldehyde." Acta Crystallographica Section E Crystallographic Communications 71, no. 12 (2015): o979—o980. http://dx.doi.org/10.1107/s2056989015021957.

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In the title compound, C15H11N3O4, the imidazo[1,2-a] pyridine ring system is almost planar [r.m.s. deviation = 0.028 (2) Å]. Its mean plane makes dihedral angles of 33.92 (7) and 34.56 (6)° with the methoxyphenyl ring and the nitro group, respectively. The cohesion of the crystal structure is ensured by C—H...N and C—H...O hydrogen bonds, forming layers almost parallel to theacplane.

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31

Vishnupriya, R., J. Suresh, S. Maharani, and R. Ranjith Kumar. "C—H...O and C—H...N interactions in three hexahydrocycloocta[b]pyridine-3-carbonitriles." Acta Crystallographica Section C Structural Chemistry 70, no. 2 (2014): 236–40. http://dx.doi.org/10.1107/s2053229614000291.

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The structures of three new pyridine derivatives, 2-methoxy-4-(4-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, C20H22N2O2, (I), 2-ethoxy-4-(3-nitrophenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, C20H21N3O3, (II), and 2-ethoxy-4-(4-methoxyphenyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, C21H24N2O2, (III), differ in the nature of the substituents either at the 2-position of the central pyridine ring or on the pendent aryl ring. This simple change in the structure substantially alters the intermolecular interaction patterns. The sub

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32

Kuvshinova, Elizaveta M., Maria A. Bykova, Irina A. Vershinina, Olga V. Gornukhina, Tatyana V. Lyubimova, and Alexander S. Semeikin. "SYNTHESIS AND COORDINATION PROPERTIES OF COBALT COMPLEXES OF 5-PHENYL-2,3,7,8,12,18-HEXAMETHYL-13,17-DIETHYLPORPHYRIN AND ITS NITRO-SUBSTITUTED IN ORGANIC SOLVENTS." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENIY KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 61, no. 7 (2018): 44. http://dx.doi.org/10.6060/ivkkt.20186107.5843.

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5-Phenyl-2,3,7,8,12,18-hexamethyl-13,17-diethylporphyrin (1), 5-phenyl-10,20-dinitro-2,3,7,8,12,18-hexamethyl -13,17-diethylporphyrin (2), 5- (p-nitrophenyl) -2,3,7,8,12,18-hexamethyl-13,17-diethylporphyrin (3) weresynthesized. The kinetics of formation and dissociation of their cobalt complexes in pyridine and acetic acid was studied. It was found that the change in reactivity upon transition from porphyrin 1 to 2 during complexation in acetic acid is due to an increase in the degree of deformation of the tetrapyrrole aromatic nucleus and the electronic effect of nitro groups. This is manifes

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33

El-Hiti, Gamal A., Keith Smith, Amany S. Hegazy, Mansour D. Ajarim, and Benson M. Kariuki. "Crystal structure of 2-(3-nitrophenyl)-1,3-thiazolo[4,5-b]pyridine." Acta Crystallographica Section E Crystallographic Communications 71, no. 11 (2015): o877. http://dx.doi.org/10.1107/s2056989015019118.

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In the title compound, C12H7N3O2S, the dihedral angle between the planes of the thiazolopyridine ring system (r.m.s. deviation = 0.005 Å) and the benzene ring is 3.94 (6)°. The nitro group is rotated by 7.6 (2)° from its attached ring. In the crystal, extensive aromatic π–π stacking [shortest centroid–centroid separation = 3.5295 (9) Å] links the molecules into (001) sheets.

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34

Paul, Anup, Luísa M. D. R. S. Martins, Anirban Karmakar, Maxim L. Kuznetsov, M. Fátima C. Guedes da Silva, and Armando J. L. Pombeiro. "Zn(II)-to-Cu(II) Transmetalation in an Amide Functionalized Complex and Catalytic Applications in Styrene Oxidation and Nitroaldol Coupling." Molecules 25, no. 11 (2020): 2644. http://dx.doi.org/10.3390/molecules25112644.

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The mononuclear zinc(II) complex cis-[ZnL2(H2O)2] (1; L = 4-(pyridin-3-ylcarbamoyl)benzoate) was synthesized and characterized. By soaking crystals of 1 in a mixture of DMF-H2O solution containing a slight excess of Cu(NO3)2 × 3H2O a transmetalation reaction occurred affording the related copper(II) complex trans-[CuL2(H2O)2] (2). The structures of the compounds were authenticated by single crystal X-ray diffraction revealing, apart from a change in the isomerism, an alteration in the relative orientation of the chelating carboxylate groups and of the pyridine moieties. H-bond interactions sta

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35

Strohecker, D. J., V. M. Lynch, B. J. Holliday, and R. A. Jones. "Synthesis and electronic investigation of mono- and di-substituted 4-nitro- and 4-amino-pyrazol-1-yl bis(pyrazol-1-yl)pyridine-type ligands and luminescent Eu(iii) derivatives." Dalton Transactions 46, no. 24 (2017): 7733–42. http://dx.doi.org/10.1039/c7dt01153a.

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36

Cole, Jacqueline M., Andrés E. Goeta, Judith A. K. Howard, and Garry J. McIntyre. "X-ray and neutron diffraction studies of the non-linear optical compounds MBANP and MBADNP at 20 K: charge-density and hydrogen-bonding analyses." Acta Crystallographica Section B Structural Science 58, no. 4 (2002): 690–700. http://dx.doi.org/10.1107/s0108768102006109.

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Neutron-diffraction studies of the compounds 5-nitro-2-{[1-phenylethyl]amino}pyridine (methylbenzylaminonitropyridine, hereafter MBANP) and 3,5-dinitro-2-{[1-phenylethyl]amino}pyridine (methylbenzylaminodinitropyridine, hereafter MBADNP) are presented, and a charge-density study of the latter is reported. The studies were conducted in order to relate the structural attributes of these materials to their physical properties. MBANP exhibits a second-harmonic generation (SHG) output, χ(2), over eight times higher than that of MBADNP, despite their very similar molecular characteristics and the se

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37

Chmurzyński, Lech, and Adam Liwo. "Notizen: A CNDO/2 Study of the Homoconjugation Energies of 4-Substituted Pyridine N-Oxides." Zeitschrift für Naturforschung B 45, no. 5 (1990): 717–18. http://dx.doi.org/10.1515/znb-1990-0522.

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Homoconjugation energies in vacuo have been calculated for pyridine N-oxide (PyO) and its 4-methyl- (4 PicO) and 4-nitro- (4-NO2PyO) derivatives with the use of the CNDO/2 method. Comparison with the experimental homoconjugation constants in some aprotic solvents reveals the opposite order of the stability of homocomplexes than could be expected based on the calculated homoconjugation energies. This formal inconsistency can be explained in terms of the solvation effect.

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38

Pace, Christopher M., Joseph R. Donnelly, Jeffrey L. Jeter, William C. Brumley, and G. Wayne Sovocool. "Determination of Aromatic Amines in Soils." Journal of AOAC INTERNATIONAL 79, no. 3 (1996): 777–83. http://dx.doi.org/10.1093/jaoac/79.3.777.

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Abstract A rapid liquid chromatographic (LC) method with ultraviolet (UV) or fluorescence detection was developed for parts-per-billion levels of aromatic amines in soils. 2,4-Diaminotoluene, pyridine, aniline, 2-pi-coline, 2-toluidine, 5-nitro-2-toluidine, 2-methyl-6-ethylaniline, 4-aminobiphenyl, 4-nitroaniline, 1-naphthyl-amine, 2-methoxyaniline, and 2-naphthyiamine were tested. The method involves extraction by sonication with 1% ammonium hydroxide–acetonitrile and analysis by LC using gradient elution with aqueous 0.01 M ammonium acetate–0.0005% triethylamine and acetonitrile. Recoveries

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39

Punte, G., B. E. Rivero, S. Cerdeira, and N. S. Nudelman. "Structure of 2-methoxy-3,5-dinitropyridine." Canadian Journal of Chemistry 68, no. 2 (1990): 298–301. http://dx.doi.org/10.1139/v90-041.

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2-Methoxy-3,5-dinitropyridine, C6N3O5H5, crystallizes in the monoclinic system, space group P21/n, with cell parameters a = 7.496(5), b = 18.38(1), c = 6.068(2) Å, β = 77.18(4)°, V = 815(1) Å3, and four molecules per unit cell. Its structure was solved by direct methods and refined by least-squares procedures to a final R = 4.99%, Rw = 5.42%, for 753 observed independent reflections. The molecule is not planar, a rotation of the methoxy and 3-nitro groups out of the pyridine ring (7° and 16°, respectively) is observed. The methoxy group is located syn to the ring nitrogen atom to avoid repulsi

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40

Sinaga, Cinthia Uly Hotnami, and Asep Wahyu Nugraha. "Determining the Most Stable Structure of Benzamided Derivatives Using Density Functional Theory (DFT)." Indonesian Journal of Chemical Science and Technology (IJCST) 4, no. 2 (2021): 49. http://dx.doi.org/10.24114/ijcst.v4i2.27594.

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This study aims to determine the energy change ∆E and determine the most stable compound based on computation results using the Density Functional Theory (DFT) method. In determining the energy change ∆E and determining the most stable compound, computational chemical calculations were used using NWChem version 6.6 software with the DFT method with the B3LYP / 3-21G base set hybrid function, the results of the calculations were visualized using the Jmol software. The results of computational calculations on the compound Benzamide is 57467.3632844735 kJ / mol, (4 - chlorocarbonyl - benzial) - p

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41

Kmoníček, Vojtěch, Emil Svátek, Jiří Holubek, Miroslav Ryska, Martin Valchář, and Miroslav Protiva. "Synthesis of 1-acyl- and 1-(thioacyl)-4-benzylpiperazines as potential antidepressants." Collection of Czechoslovak Chemical Communications 55, no. 7 (1990): 1817–27. http://dx.doi.org/10.1135/cccc19901817.

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2-Nitro, 3-nitro- and 4-nitrobenzoyl chloride were reacted with 1-benzylpiperazine in benzene in the presence of triethylamine and gave the amides IV-VI, the first of which is considered a bioisostere of the antidepressant agent piberaline (I). 2-Dimethylamino-, 3-dimethylamino- and 4-dimethylaminobenzoic acid were treated with thionyl chloride in benzene in the presence of triethylamine or pyridine, and the acid chlorides formed were reacted in situ with 1-benzylpiperazine affording the amides VII-IX. The amides I and IV-VI were transformed by treatment with phosphorus pentasulfide in pyridin

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42

Kuvshinova, Elizaveta M., Olga V. Gornukhina, Alexander S. Semeikin, Irina A. Vershinina, and Sergey A. Syrbu. "COORDINATION PROPERTIES OF NITRO-SUBSTITUTED 5,15-DIPHENYL-3,7,13,17-TETRAMETHYL-2,8,12,18-TETRAETHYLPORPHYRIN WITH MANGANESE ACETATE IN PYRIDINE AND ACETIC ACID." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 63, no. 9 (2020): 49–55. http://dx.doi.org/10.6060/ivkkt.20206309.6218.

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The synthesis of 5,15-diphenyl-3,7,13,17-tetramethyl-2,8,12,18-tetraethylporphyrin and its nitro substituted was carried out. Nitro groups are located in meso-positions of the tetrapyrrole macrocycle and (or) para-positions of the phenyl rings. The synthesized porphyrins are characterized by a set of modern research methods: electron absorption spectroscopy; IR and nuclear magnetic resonance spectroscopy 1H. The reactions of the formation of manganese complexes with nitro-substituted 5,15-diphenyl-3,7,13,17-tetramethyl-2,8,12,18-tetraethylporphyrin and their stability in organic solvents are s

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43

Syed Abuthahir, S., M. NizamMohideen, V. Viswanathan, D. Velmurugan, and J. Nagasivarao. "Crystal structure of 6-(4-chlorophenyl)-6a-nitro-6a,6b,8,9,10,12a-hexahydro-6H,7H-spiro[chromeno[3,4-a]indolizine-12,11′-indeno[1,2-b]quinoxaline]." Acta Crystallographica Section E Crystallographic Communications 75, no. 2 (2019): 255–59. http://dx.doi.org/10.1107/s2056989019000975.

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The title compound, C35H27ClN4O3, crystallized with two independent molecules (A and B) in the asymmetric unit. In both molecules, the pyran and pyridine rings adopt envelope and chair conformations, respectively. The conformation of the pyrrolidine and cyclopentene rings differ in the two molecules; twisted and flat, respectively, in molecule A, but envelope and twisted, respectively, in molecule B. In both molecules, there is a C—H...N intramolecular hydrogen bond present. In both molecules, the oxygen atoms of the nitro groups are disordered as is the chlorine atom in molecule B. In the cry

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44

Hückstädt, Heiner, and Heiner Homborg. "Synthese und Eigenschaften von trans-Bisnitro-phthalocyaninato(2-)iridat(III) und Pyridin-nitro-phthalocyaninato(2-)iridium(III); Kristallstruktur von linear- Bis(triphenylphosphin)iminium-trans-Bisnitro-phthalocyaninato(2-)iridat(III) / Synthesis and Properties of trans-Bisnitro-phthalocyaninato(2-)iridate(III) and Pyridine-nitro-phthalocyaninato(2-)iridium(III); Crystal Structure of linear- Bis(triphenylphosphine)iminium trans-Bisnitro-phthalocyaninato(2-)iridate(III)." Zeitschrift für Naturforschung B 52, no. 8 (1997): 1003–10. http://dx.doi.org/10.1515/znb-1997-0822.

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Reaction of bis[phthalocyaninato(2-)iridium(II)] ([(Irpc2-)2]) with nitric oxide in pyridine yields nitrosyl-containing intermediates that are immediately oxidized by air yielding pyri-dine-nitro-phthalocyaninato(2-)iridium(III) ([Ir(py)(NO2)pc2-]). Linear-bis(triphenylphos-phine)iminium trans-bisnitro-phthalocyaninatoiridate(III) (1(PNP)trans[Ir(NO2)2pc2-]) is prepared by air-oxidation of [(Irpc2-)2] in dichloromethane in the presence of (PNP)NO2. It crystallizes in the triclinic space group P1̄ (no. 2) with the following cell parameters: a =10.649(1) Å, b = 12.357(1) Å, c = 12.841(1) Å, α =

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45

Booyens, Wanda, Pieter G. Van Zyl, Johan P. Beukes, et al. "Characterising Particulate Organic Nitrogen at A Savannah-Grassland Region in South Africa." Atmosphere 10, no. 9 (2019): 492. http://dx.doi.org/10.3390/atmos10090492.

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Although atmospheric organic N compounds are considered to be important, especially in new particle formation and their contribution to brown carbon, these species are not that well understood. This can be partially attributed to their chemical complexity. Therefore, the aim of this study was to assess the characteristics of organic N compounds utilising comprehensive two-dimensional gas chromatography coupled with a time-of-flight mass spectrometer (GCxGC-TOFMS) in aerosol samples that were collected at a savanna-grassland background region and to determine the possible sources. 135 atmospher

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46

Fellowes, Thomas, Martin P. Van Koeverden, and Jonathan M. White. "Thermal conversion of a pyridine solvate to a de-solvate facilitated by rearrangement of chalcogen bonds. The solvate and non-solvate structures of N-(2-nitro-4-(3-oxobenzo[d][1,2]selenazol-2(3H)-yl)phenyl)picolinamide." CrystEngComm 22, no. 23 (2020): 4023–29. http://dx.doi.org/10.1039/d0ce00662a.

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47

Aznan, Aina Mardia Akhmad, Zanariah Abdullah, Vannajan Sanghiran Lee, and Edward R. T. Tiekink. "Crystal structure of a new monoclinic polymorph ofN-(4-methylphenyl)-3-nitropyridin-2-amine." Acta Crystallographica Section E Structure Reports Online 70, no. 8 (2014): 58–61. http://dx.doi.org/10.1107/s1600536814012227.

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The title compound, C12H11N3O2, is a second monoclinic polymorph (P21, withZ′ = 4) of the previously reported monoclinic (P21/c, withZ′ = 2) form [Akhmad Aznanet al.(2010).Acta Cryst.E66, o2400]. Four independent molecules comprise the asymmetric unit, which have the common features of asyndisposition of the pyridine N atom and the toluene ring, and an intramolecular amine–nitro N—H...O hydrogen bond. The differences between molecules relate to the dihedral angles between the rings which range from 2.92 (19) to 26.24 (19)°. The geometry-optimized structure [B3LYP level of theory and 6–311 g+(d

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48

Jabri, Zainab, Karim Jarmoni, Tuncer Hökelek, et al. "Crystal structure, Hirshfeld surface analysis and DFT studies of 6-bromo-3-(12-bromododecyl)-2-(4-nitrophenyl)-4H-imidazo[4,5-b]pyridine." Acta Crystallographica Section E Crystallographic Communications 76, no. 5 (2020): 677–82. http://dx.doi.org/10.1107/s2056989020005228.

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The title compound, C24H30Br2N4O2, consists of a 2-(4-nitrophenyl)-4H-imidazo[4,5-b]pyridine entity with a 12-bromododecyl substituent attached to the pyridine N atom. The middle eight-carbon portion of the side chain is planar to within 0.09 (1) Å and makes a dihedral angle of 21.9 (8)° with the mean plane of the imidazolopyridine moiety, giving the molecule a V-shape. In the crystal, the imidazolopyridine units are associated through slipped π–π stacking interactions together with weak C—HPyr...ONtr and C—HBrmdcyl...ONtr (Pyr = pyridine, Ntr = nitro and Brmdcyl = bromododecyl) hydrogen bonds

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49

Ye, Lina, Zhongping Ou, Yuanyuan Fang та ін. "Effect of NO2 substitution and solvent on UV-visible spectra, redox potentials and electron transfer mechanisms of copper β-nitrotriarylcorroles. Proposed electrogeneration of a Cu(I) oxidation state". Journal of Porphyrins and Phthalocyanines 20, № 07 (2016): 753–65. http://dx.doi.org/10.1142/s1088424616500899.

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Three copper triarylcorroles containing a [Formula: see text]-pyrrole nitro substituent were synthesized and characterized as to their spectral and electrochemical properties in nonaqueous media. The examined compounds are represented as [Formula: see text]-NO2(YPh)3CorCu, where Cor is the trianion of a triphenylcorrole and Y is a Cl, H or CH3 substituent at the para-position of the three meso-phenyl rings of the compound. The data from absorption spectra, electrochemistry and thin-layer spectroelectrochemistry are consistent with an initial assignment of Cu[Formula: see text]-Cor[Formula: see

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50

Sivakumar, N., S. Muralidharan, G. Chakkaravarthi, D. Velmurugan, and G. Anbalagan. "Crystal structure of bis[4-(dimethylamino)pyridinium] bis(2-nitrobenzoate) trihydrate." Acta Crystallographica Section E Structure Reports Online 70, no. 10 (2014): 221–23. http://dx.doi.org/10.1107/s1600536814020583.

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The title salt, 2C7H11N2+·2C7H4NO4−·3H2O, crystallized with two anions and two cations in the asymmetric unit, together with three water molecules. Both 4-dimethylaminopyridinium cations are protonated at their pyridine N atoms with the plane of the N(CH3)2hetero atoms inclined to the pyridine ring by 4.5 (2) and 1.4 (2)°. In the 2-nitrobenzoate anions, the carboxyl and nitro groups are inclined to their respective benzene rings by 77.1 (3) and 20.0 (3)°, and 75.8 (2) and 20.9 (3)°. In the crystal, the anions are linkedviaO—H...O hydrogen bonds involving the water molecules, forming chains alo

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