2-[2-(2-Chloro-phen-yl)-2-oxoeth-yl]-2,3-dihydro-1?(6),2-benzothia-zole-1,1,3-trione.

ABSTRACT: The asymmetric unit of the title compound, C(15)H(10)ClNO(4)S, contains two independent conformers wherein the 2-chloro-phenyl group in one is rotated by approximately 180° compared to the other mol-ecule. 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 mol-ecule and -104.3?(2) and -173.4?(2)° in the other. The benzisothia-zole ring systems in the two mol-ecules 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 ?-? inter-actions between the benzene rings of the benzisothia-zole groups and symmetry-related chloro-benzene rings with centroid-centroid distances of 3.6178?(13) and 3.6267?(15)?Å. In addition, pairs of weak inter-molecular C-H?O hydrogen bonds form inversion dimers which are connected by further C-H?O hydrogen bonds into a three-dimensional network.

SUBMITTER: Sattar N 

PROVIDER: S-EPMC3435829 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature