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4-[(5-Chloro-2-hy-droxy-benzyl-idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione.

ABSTRACT: The title compound, C11H11ClN4OS, crystallizes with two mol-ecules, 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 mol-ecules feature an intra-molecular 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 ?-? stacking inter-actions 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.

SUBMITTER: Yuan CX

PROVIDER: S-EPMC4011212 | biostudies-other | 2014 May

REPOSITORIES: biostudies-other

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4-[(5-Chloro-2-hy-droxy-benzyl-idene)amino]-3-ethyl-1H-1,2,4-triazole-5(4H)-thione.

Yuan Cai-Xia CX Yao Xu-Mei XM Zhu Miao-Li ML Zhu Hong-Mei HM

Acta crystallographica. Section E, Structure reports online 20140418 Pt 5

The title compound, C11H11ClN4OS, crystallizes with two mol-ecules, 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 mol-ecules feature an intra-molecular 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 inter-actions between the triazole rings [centroid-centroid separations = 3.631 (3) and 3.981 (4)Å]. N-H⋯S hyd ...[more]

PMID: 24860378

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