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Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
In the title dithiocarbazate compound, C(17)H(19)N(3)S(2), the central CN(2)S(2) residue is essentially planar (r.m.s. deviation = 0.0288 Å) and forms dihedral angles of 9.77 (8) and 77.47 (7)° with the substituted-pyridyl and p-tolyl rings, respectively, indicating a highly twisted molecule; the...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719984/ https://www.ncbi.nlm.nih.gov/pubmed/26870503 http://dx.doi.org/10.1107/S205698901502407X |
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author | Ravoof, Thahira Begum S. A. Tiekink, Edward R. T. Omar, Siti Aminah Begum, Sharifa Zaithun Tahir, Mohamed I. M. |
author_facet | Ravoof, Thahira Begum S. A. Tiekink, Edward R. T. Omar, Siti Aminah Begum, Sharifa Zaithun Tahir, Mohamed I. M. |
author_sort | Ravoof, Thahira Begum S. A. |
collection | PubMed |
description | In the title dithiocarbazate compound, C(17)H(19)N(3)S(2), the central CN(2)S(2) residue is essentially planar (r.m.s. deviation = 0.0288 Å) and forms dihedral angles of 9.77 (8) and 77.47 (7)° with the substituted-pyridyl and p-tolyl rings, respectively, indicating a highly twisted molecule; the dihedral angle between the rings is 85.56 (8)°. The configuration about the C=N bond is Z, which allows for the formation of an intramolecular N—H⋯N(pyridyl) hydrogen bond. The packing features tolyl-methyl-C—H⋯N(imine), pyridyl-C—H⋯π(tolyl) and π–π interactions [between pyridyl rings with a distance = 3.7946 (13) Å], which generates jagged supramolecular layers that stack along the b axis with no directional interactions between them. |
format | Online Article Text |
id | pubmed-4719984 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47199842016-02-11 Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate Ravoof, Thahira Begum S. A. Tiekink, Edward R. T. Omar, Siti Aminah Begum, Sharifa Zaithun Tahir, Mohamed I. M. Acta Crystallogr E Crystallogr Commun Data Reports In the title dithiocarbazate compound, C(17)H(19)N(3)S(2), the central CN(2)S(2) residue is essentially planar (r.m.s. deviation = 0.0288 Å) and forms dihedral angles of 9.77 (8) and 77.47 (7)° with the substituted-pyridyl and p-tolyl rings, respectively, indicating a highly twisted molecule; the dihedral angle between the rings is 85.56 (8)°. The configuration about the C=N bond is Z, which allows for the formation of an intramolecular N—H⋯N(pyridyl) hydrogen bond. The packing features tolyl-methyl-C—H⋯N(imine), pyridyl-C—H⋯π(tolyl) and π–π interactions [between pyridyl rings with a distance = 3.7946 (13) Å], which generates jagged supramolecular layers that stack along the b axis with no directional interactions between them. International Union of Crystallography 2015-12-19 /pmc/articles/PMC4719984/ /pubmed/26870503 http://dx.doi.org/10.1107/S205698901502407X Text en © Ravoof et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Ravoof, Thahira Begum S. A. Tiekink, Edward R. T. Omar, Siti Aminah Begum, Sharifa Zaithun Tahir, Mohamed I. M. Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate |
title | Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
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title_full | Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
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title_fullStr | Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
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title_full_unstemmed | Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
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title_short | Crystal structure of (Z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate
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title_sort | crystal structure of (z)-4-methylbenzyl 3-[1-(5-methylpyridin-2-yl)ethylidene]dithiocarbazate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719984/ https://www.ncbi.nlm.nih.gov/pubmed/26870503 http://dx.doi.org/10.1107/S205698901502407X |
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