Crystal and Molecular Structure of (S)-a-(p-Bromobenzenesulphonamido)-B-propiothiolactone

Abstract

(S)-a-(p-Bromobenzenesulphonamido)-{J-propiothiolactone, C9H8N03S2Br, crystallizes in the orthorhombic system with a = = 1.0125(2), b = 1.2439(1) and c = 0.9304(3) nm, Z = 4 in space group P212121• The compound is isostructural with the analogous chloro derivative. The crystal structure has been refined from diffractometer data to conventional R and Ra values of 0.045 and 0.048 for 2277 reflections with I ~ 2a (I). The heterocyclic four-membered ring has a puckering angle of 8.9(4) 0 • The dihedral angle between the best planes of the /)-propiothiolactone and benzene rings is 84.1(2) 0 • The structure consists of discrete molecules connected along the a axis by intermolecular hydrogen bonds N-H ... O of 291.9(7) pm