4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione

The title compound, C(11)H(11)BrN(4)OS, crystallized as a racemic twin with two symmetry-independent mol­ecules in the asymmetric unit. The dihedral angles between the benzene and triazole rings of the two independent mol­ecules are 56.41 (18) and 54.48 (18)°. An intra­molecular O—H⋯N hydrogen bond...

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Detalles Bibliográficos
Autores principales: Yuan, Cai-Xia, Lan, Shu-Fen, Liu, Xin-Yu, Zhu, Miao-Li
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4158482/
https://www.ncbi.nlm.nih.gov/pubmed/25249924
http://dx.doi.org/10.1107/S1600536814016833
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author Yuan, Cai-Xia
Lan, Shu-Fen
Liu, Xin-Yu
Zhu, Miao-Li
author_facet Yuan, Cai-Xia
Lan, Shu-Fen
Liu, Xin-Yu
Zhu, Miao-Li
author_sort Yuan, Cai-Xia
collection PubMed
description The title compound, C(11)H(11)BrN(4)OS, crystallized as a racemic twin with two symmetry-independent mol­ecules in the asymmetric unit. The dihedral angles between the benzene and triazole rings of the two independent mol­ecules are 56.41 (18) and 54.48 (18)°. An intra­molecular O—H⋯N hydrogen bond occurs in each mol­ecule. In the crystal, pairs of symmetry-independent mol­ecules are linked by pairs of almost linear N—H⋯S hydrogen bonds, forming cyclic dimers characterized by an R (2) (2)(8) motif. There are weak π–π inter­actions between the benzene rings of symmetry-independent mol­ecules, with a centroid–centroid distance of 3.874 (3) Å.
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spelling pubmed-41584822014-09-23 4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione Yuan, Cai-Xia Lan, Shu-Fen Liu, Xin-Yu Zhu, Miao-Li Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(11)BrN(4)OS, crystallized as a racemic twin with two symmetry-independent mol­ecules in the asymmetric unit. The dihedral angles between the benzene and triazole rings of the two independent mol­ecules are 56.41 (18) and 54.48 (18)°. An intra­molecular O—H⋯N hydrogen bond occurs in each mol­ecule. In the crystal, pairs of symmetry-independent mol­ecules are linked by pairs of almost linear N—H⋯S hydrogen bonds, forming cyclic dimers characterized by an R (2) (2)(8) motif. There are weak π–π inter­actions between the benzene rings of symmetry-independent mol­ecules, with a centroid–centroid distance of 3.874 (3) Å. International Union of Crystallography 2014-07-26 /pmc/articles/PMC4158482/ /pubmed/25249924 http://dx.doi.org/10.1107/S1600536814016833 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
Lan, Shu-Fen
Liu, Xin-Yu
Zhu, Miao-Li
4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione
title 4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione
title_full 4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione
title_short 4-[(5-Bromo-2-hy­droxy­benzyl­idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione
title_sort 4-[(5-bromo-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/PMC4158482/
https://www.ncbi.nlm.nih.gov/pubmed/25249924
http://dx.doi.org/10.1107/S1600536814016833
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