Acta Crystallographica Section E

Structure Reports Online

Volume 70, Part 1 (January 2014)

organic compounds

qm2102 scheme

Acta Cryst. (2014). E70, o57-o58    [ doi:10.1107/S1600536813033527 ]


B. K. Sarojini, P. S. Manjula, M. Kaur, B. J. Anderson and J. P. Jasinski

Abstract: In the title compound, C10H9ClN4S, the dihedral angle between the mean planes of the phenyl and 1H-1,2,4-triazole-5(4H)-thione rings is 25.3 (9)°. The latter ring is essentially planar, with maximum deviations of 0.010 and -0.010 Å for the ring N atom in the 4-position and ring C atom bearing the methyl group, respectively. An intra­molecular C-H...S contact occurs. In the crystal, pairs of weak N-H...S inter­actions link the mol­ecules into inversion dimers in the ac plane, forming R22(8) graph-set motifs. In addition, weak [pi]-[pi] inter­actions [centroid-centroid distances = 3.3463 (14) and 3.6127 (13)Å] are observed.

CCDC reference: 976444

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