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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...

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Detalles Bibliográficos
Autores principales: Yuan, Cai-Xia, Yao, Xu-Mei, Zhu, Miao-Li, Zhu, Hong-Mei
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
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.
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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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