Acta Cryst. (2013). C69, 901-903 [ doi:10.1107/S010827011301771X ]
Abstract: The title compound, C19H21N3O4S, crystallizes in the space group P2/c with two molecules in the asymmetric unit. The conformation of both molecules is very similar and is mainly determined by an intramolecular N-HO hydrogen bond between a urea N atom and a sulfonyl O atom. The O and second N atom of the urea groups are involved in dimer formation via N-HO hydrogen bonds. The intramolecular hydrogen-bonding motif and conformation of the C-SO2-NH(C=O)-NH-C fragment are explored and compared using the Cambridge Structural Database and theoretical calculations. The crystal packing is characterized by - stacking between the 5-cyanobenzene rings.
Keywords: crystal structure; urea derivatives; pharmaceutical compounds; TXA2 receptor antagonist.
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