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

The title compound, C11H11ClN4OS, 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 crys...

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Bibliographic Details
Main Authors: Cai-Xia Yuan, Xu-Mei Yao, Miao-Li Zhu, Hong-Mei Zhu
Format: Article
Language:English
Published: International Union of Crystallography 2014-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814008320
Description
Summary:The title compound, C11H11ClN4OS, 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 R22(8) loops.
ISSN:1600-5368