2-[2-(2-Bromophenyl)-2-oxoethyl]-1 #955;6,2-benzothiazole-1,1,3-trione

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....

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Published inActa crystallographica. Section E, Structure reports online Vol. 68; no. 6; pp. o1889 - o1890
Main Authors Nazia Sattar, Hamid Latif Siddiqui, Waseeq Ahmad Siddiqui, Muhammad Akram, Masood Parvez
Format Journal Article
LanguageEnglish
Published International Union of Crystallography 01.06.2012
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Summary: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.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536812022428