Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 1 (January 2012)

organic compounds

Acta Cryst. (2012). E68, o91    [ doi:10.1107/S1600536811052706 ]


N. Sattar, H. L. Siddiqui, T. Hussain, S. Aslam and M. Parvez

Abstract: There are two independent mol­ecules in the asymmetric unit of the title compound, C23H17N2O4S, with significant differences in their conformations, e.g. the benzene rings of the benzothia­zine and benzonitrile units are inclined at 28.19 (10) and 17.89 (7)° in the two mol­ecules, with the centroids of the rings separated by 3.975 (2) and 3.637 (2) Å, respectively. Moreover, the N-C-C-C torsion angles involving the benzoyl group are 14.3 (5) and 8.2 (5)° in the two mol­ecules, showing different degrees of rotation of this group. In both mol­ecules, the heterocyclic thia­zine rings adopt half-chair conformations, with the S and N atoms displaced by 0.427 (6) and 0.365 (6) Å, respectively, in one mol­ecule and by 0.356 (6) and 0.432 (6) Å, respectively, in the other, on opposite sides of the mean planes formed by the remaining ring atoms. The crystal structure is stabilized by inter­molecular C-H...O hydrogen bonds and further consolidated by intra­molecular O-H...O hydrogen bonds.

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