Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 5 (May 2014)

organic compounds

hb7205 scheme

Acta Cryst. (2014). E70, o574-o575    [ doi:10.1107/S1600536814008320 ]


C.-X. Yuan, X.-M. Yao, M.-L. Zhu and H.-M. Zhu

Abstract: 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 [pi]-[pi] 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.

CCDC reference: 997034

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