R factor = 0.043; wR factor = 0.086; data-to-parameter ratio = 13.7. 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. Related literature For background to 1,3-thiazolidin-4-ones and their properties, see: Singh et al. (1981); Liesen et al. (2010); Kocabalkanli et al. (2001); Kumar et al. (2007). For further synthetic details, see: Mohareb et al. (2012). For a related structure, see: Pomés Hernández et al. (1996)
Is data on this page outdated, violates copyrights or anything else? Report the problem now and we will take corresponding actions after reviewing your request.