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4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione
The title compound, C(11)H(11)ClN(4)OS, crystallizes with two molecules, A and B, in the asymmetric unit in which the dihedral angles between the triazole and benzene rings are 54.6 (3) and 56.0 (3)°. Both molecules feature an intramolecular O—H⋯N hydrogen bond, which generates an S(6) ring. In t...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011212/ https://www.ncbi.nlm.nih.gov/pubmed/24860378 http://dx.doi.org/10.1107/S1600536814008320 |
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author | Yuan, Cai-Xia Yao, Xu-Mei Zhu, Miao-Li Zhu, Hong-Mei |
author_facet | Yuan, Cai-Xia Yao, Xu-Mei Zhu, Miao-Li Zhu, Hong-Mei |
author_sort | Yuan, Cai-Xia |
collection | PubMed |
description | The title compound, C(11)H(11)ClN(4)OS, crystallizes with two molecules, A and B, in the asymmetric unit in which the dihedral angles between the triazole and benzene rings are 54.6 (3) and 56.0 (3)°. Both molecules feature an intramolecular O—H⋯N hydrogen bond, which generates an S(6) ring. In the crystal, A–B dimers are linked by pairs of weak C—H⋯S hydrogen bonds along with π–π stacking interactions between the triazole rings [centroid–centroid separations = 3.631 (3) and 3.981 (4)Å]. N—H⋯S hydrogen bonds link the dimers into [100] chains, which feature R (2) (2)(8) loops. |
format | Online Article Text |
id | pubmed-4011212 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-40112122014-05-23 4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione Yuan, Cai-Xia Yao, Xu-Mei Zhu, Miao-Li Zhu, Hong-Mei Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(11)ClN(4)OS, crystallizes with two molecules, A and B, in the asymmetric unit in which the dihedral angles between the triazole and benzene rings are 54.6 (3) and 56.0 (3)°. Both molecules feature an intramolecular O—H⋯N hydrogen bond, which generates an S(6) ring. In the crystal, A–B dimers are linked by pairs of weak C—H⋯S hydrogen bonds along with π–π stacking interactions between the triazole rings [centroid–centroid separations = 3.631 (3) and 3.981 (4)Å]. N—H⋯S hydrogen bonds link the dimers into [100] chains, which feature R (2) (2)(8) loops. International Union of Crystallography 2014-04-18 /pmc/articles/PMC4011212/ /pubmed/24860378 http://dx.doi.org/10.1107/S1600536814008320 Text en © Yuan et al. 2014 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 | Organic Papers Yuan, Cai-Xia Yao, Xu-Mei Zhu, Miao-Li Zhu, Hong-Mei 4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione |
title | 4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione |
title_full | 4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione |
title_fullStr | 4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione |
title_full_unstemmed | 4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione |
title_short | 4-[(5-Chloro-2-hydroxybenzylidene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione |
title_sort | 4-[(5-chloro-2-hydroxybenzylidene)amino]-3-ethyl-1h-1,2,4-triazole-5(4h)-thione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4011212/ https://www.ncbi.nlm.nih.gov/pubmed/24860378 http://dx.doi.org/10.1107/S1600536814008320 |
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