Acta Cryst. (2009). E65, o1242-o1243  [ doi:10.1107/S160053680901650X ]

4-{[(E)-(4-Chlorophenyl)methylidene]amino}-3-{2-[4-(2-methylpropyl)phenyl]ethyl}-1H-1,2,4-triazole-5(4H)-thione

H.-K. Fun, S. R. Jebas, K. V. Sujith and B. Kalluraya

Abstract: The asymmetric unit of the title compound, C₂₁H₂₃ClN₄S, contains nine crystallographically independent molecules, labelled A to I. The orientation of the 2-[4-(2-methylpropyl)phenyl]ethyl unit with respect to the rest of the molecule is significantly different in molecules E, F, H and I compared to the other independent molecules. The isobutyl group of molecule B is disordered over two orientations, with occupancies of 0.764 (7) and 0.236 (7). The benzene rings of the chlorophenyl and methylpropylphenyl units form dihedral angles of 21.90 (11) and 71.47 (11)°, respectively, with the triazole ring in molecule A [9.15 (11) and 80.37 (11)° in B, 7.14 (11) and 84.06 (11)° in C, 25.76 (11) and 76.59 (11)° in D, 13.68 (11) and 76.82 (10)° in E, 8.38 (11) and 69.77 (10)° in F, 30.34 (11) and 78.12 (11)° in G, 21.20 (11) and 71.58 (10)° in H, and 27.65 (11) and 65.23 (11)° in I]. In each independent molecule, a C-HS hydrogen bond is observed. The crystal packing is stabilized by N-HS and C-HS hydrogen bonds, and by C-H interactions involving the methylpropylphenyl ring.

Online 14 May 2009

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