[Open access]

[Contents scheme]

Acta Cryst. (2012). E68, o3209-o3210
[ doi:10.1107/S1600536812043668 ]

N-(2-{[5-Bromo-2-(piperidin-1-yl)pyrimidin-4-yl]sulfanyl}-4-methoxyphenyl)benzenesulfonamide

M. Kumar, L. Mallesha, M. A. Sridhar, K. Kapoor, V. K. Gupta and R. Kant

Abstract: The title compound, C22H23BrN4O3S2, crystallizes with two molecules, A and B, in the asymmetric unit. In one of these, the methoxy group is disordered over two sets of sites in a 0.565 (9):0.435 (9) ratio. The benzene rings bridged by the sulfonamide group are tilted relative to each other by 37.4 (1) and 56.1 (1)° in molecules A and B, respectively, while the dihedral angles between the sulfur-bridged pyrimidine and benzene rings are 72.4 (1) and 70.2 (1)° for A and B, respectively. The piperidine ring adopts a chair conformation in both molecules. In the crystal, inversion dimers linked by pairs of N-H...N hydrogen bonds occur for both A and B; the dimers are linked into [010] chains by C-H...O hydrogen bonds. The crystal structure also features inversion-generated aromatic [pi]-[pi] stacking interactions between the pyrimidine rings for both molecules [centroid-centroid distances = 3.412 (2) (molecule A) and 3.396 (2) Å (molecule B)].


Copyright © International Union of Crystallography
IUCr Webmaster