N-tert-Butyl-N %26apos;-[5-cyano-2-(4-methylphenoxy)phenylsulfonyl]urea, a new TXA(2) receptor antagonist

作者：Bambi Nyanguile Sylvie Mireille; Kimpende Peter Mangwala; Pirotte Bernard; Van Meervelt Luc^*

来源：Acta Crystallographica Section C-Crystal Structure Communications, 2013, 69(8): 901-+.

DOI：10.1107/S010827011301771X

• crystal structure
• urea derivatives
• pharmaceutical compounds
• TXA(2) receptor antagonist

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-H center dot center dot center dot O 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-H center dot center dot center dot O 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 pi-pi stacking between the 5-cyanobenzene rings.

• 出版日期2013-8