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

Abstract

The asymmetric unit of the title compound, C15H10BrNO4S, contains two different conformers in which the benzisothiazole rings are essentially planar, with r.m.s. deviations of 0.012 and 0.017 Å. The mean planes of the benzene rings form dihedral angles 70.49 (13) and 72.79 (11)° with the benzisothiazole rings. The orientation of the Br atoms in the two conformers exhibit the most pronounced difference, with opposing orientations in the two molecules. The crystal structure is stabilized by π–π interactions between the benzene rings of the benzisothiazole moieties of one molecule and bromobenzene rings of the other molecule, with distances between the ring centroids of 3.599 (3) and 3.620 (3) Å, respectively. The crystal packing is further consolidated by pairs of weak intermolecular C—H...O hydrogen bonds, which form inversion dimers.