Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 11 (November 2012)


organic compounds



hb6961 scheme

Acta Cryst. (2012). E68, o3064-o3065    [ doi:10.1107/S1600536812040226 ]

2-(3,4-Dimethyl-5,5-dioxo-2H,4H-pyrazolo[4,3-c][1,2]benzothiazin-2-yl)-N-(3-methoxybenzyl)acetamide

M. Ahmad, H. L. Siddiqui, M. Zia-ur-Rehman, S. Aslam and M. Parvez

Abstract: The asymmetric unit of the title compound, C21H22N4O4S, contains two molecules (A and B), in which the thiazine rings adopt an S-envelope conformation with the S atoms displaced by 0.621 (2) and 0.697 (2) Å from the mean planes formed by the remaining ring atoms. The dihedral angles between the N-methylacetamide groups and the methoxybenzene rings are 8.67 (10) and 54.49 (6)° in the two molecules and the equivalent torsion angles in the N-methylacetamide chains connecting the ring systems also differ. In the crystal, N-H...O hydrogen bonds connect the components into C(4) [100] chains of alternating A and B molecules. The packing is consolidated by weak C-H...O interactions, which generate a three-dimensional network.


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