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

ABSTRACT: The asymmetric unit of the title compound, C(15)H(10)BrNO(4)S, contains two different conformers in which the benzisothia-zole 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 benzisothia-zole rings. The orientation of the Br atoms in the two conformers exhibit the most pronounced difference, with opposing orientations in the two mol-ecules. The crystal structure is stabilized by ?-? inter-actions between the benzene rings of the benzisothia-zole moieties of one mol-ecule and bromo-benzene rings of the other mol-ecule, 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 inter-molecular C-H?O hydrogen bonds, which form inversion dimers.

SUBMITTER: Sattar N 

PROVIDER: S-EPMC3379449 | biostudies-literature | 2012 Jun

REPOSITORIES: biostudies-literature

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2-[2-(2-Bromo-phen-yl)-2-oxoeth-yl]-1λ(6),2-benzothia-zole-1,1,3-trione.

Sattar Nazia N   Siddiqui Hamid Latif HL   Siddiqui Waseeq Ahmad WA   Akram Muhammad M   Parvez Masood M  

Acta crystallographica. Section E, Structure reports online 20120526 Pt 6

The asymmetric unit of the title compound, C(15)H(10)BrNO(4)S, contains two different conformers in which the benzisothia-zole 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 benzisothia-zole rings. The orientation of the Br atoms in the two conformers exhibit the most pronounced difference, with opposing orientations in the two mol-ecules. The crystal structure is stabilized  ...[more]

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