Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)

organic compounds

Acta Cryst. (2013). E69, o350    [ doi:10.1107/S160053681300216X ]


O. K. Sakka, D. H. Fleita and W. T. A. Harrison

Abstract: In the title compound, C12H7N3OS, the essentially planar thia­zole ring (r.m.s. deviation = 0.022 Å) forms dihedral angles of 84.88 (9) and 1.8 (3)° with the phenyl ring and the -C(CN)2 group (r.m.s. deviation = 0.003 Å), respectively. The mol­ecule has approximate local Cs symmetry. In the crystal, molecules are linked via C-H...N hydrogen bonds, forming chains propagating along [101]. The crystal studied was found to be an inversion twin with a refined 0.63 (1):0.37 (1) domain ratio.

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