2-[2-(2-Chlorophenyl)-2-oxoethyl]-2,3-dihydro-1λ6,2-benzothiazole-1,1,3-trione

• Main Authors: Nazia Sattar, Hamid Latif Siddiqui, Naveed Ahmad, Tanvir Hussain, Masood Parvez
• Format: Article
• Language: English
• Published: International Union of Crystallography 2012-09-01
• Series: Acta Crystallographica Section E
• Online Access: http://scripts.iucr.org/cgi-bin/paper?S1600536812036653

The asymmetric unit of the title compound, C15H10ClNO4S, contains two independent conformers wherein the 2-chlorophenyl group in one is rotated by approximately 180° compared to the other molecule. This affects the S—N—C—C(=O) and N—C—C(=O)—C torsion angles giving vlaues of −87.0 (2) and 158.7 (2)° in one molecule and −104.3 (2) and −173.4 (2)° in the other. The benzisothiazole ring systems in the two molecules are essentially planar (r.m.s. deviations = 0.017 and 0.010 Å) and form dihedral angles of 73.53 (7) and 73.26 (6)° with the benzene rings. In the crystal, there are weak π–π interactions between the benzene rings of the benzisothiazole groups and symmetry-related chlorobenzene rings with centroid–centroid distances of 3.6178 (13) and 3.6267 (15) Å. In addition, pairs of weak intermolecular C—H...O hydrogen bonds form inversion dimers which are connected by further C—H...O hydrogen bonds into a three-dimensional network.