1-(5-Bromo-4-phenyl-1,3-thia-zol-2-yl)pyrrolidin-2-one

Acta Crystallogr Sect E Struct Rep Online. 2012 Jun 1;68(Pt 6):o1738-9. doi: 10.1107/S160053681201954X. Epub 2012 May 16.

Abstract

The asymmetric unit of the title compound, C(13)H(11)BrN(2)OS, consists of two crystallographically independent mol-ecules (A and B). In each mol-ecule, the pyrrolidine ring adopts an envelope conformation with a methyl-ene C atom as the flap atom. In mol-ecule A, the central thia-zole ring makes a dihedral angle of 36.69 (11)° with the adjacent phenyl ring, whereas the corresponding angle is 36.85 (12)° in mol-ecule B. The pyrrolidine ring is slightly twisted from the thia-zole ring, with C-N-C-N torsion angles of 4.8 (3) and 3.0 (4)° in mol-ecules A and B, respectively. In the crystal, C-H⋯π and π-π [centroid-to-centroid distance = 3.7539 (14) Å] inter-actions are observed. The crystal studied was a pseudo-merohedral twin with twin law (-100 0-10 101) and a refined component ratio of 0.7188 (5):0.2812 (5).