Acta Cryst. (2005). E61, o179-o181  [ doi:10.1107/S1600536804033598 ]

A pseudopolymorph of valdecoxib

H. S. Yathirajan, R. S. Narasegowda, P. Nagaraja and M. Bolte

Abstract: Valdecoxib, C₁₆H₁₄N₂O₃S, is a non-steroidal anti-inflammatory drug containing a planar isoxazole heterocycle which is substituted at the C atoms with two aromatic rings and a methyl group. In addition to one molecule of valdecoxib, there is half a molecule of ethyl methyl ketone in the asymmetric unit of the title compound [systematic name: 4-(5-methyl-3-phenylisoxazol-4-yl)benzenesulfonamide ethyl methyl ketone hemisolvate], viz. C₁₆H₁₄N₂O₃S·0.5C₄H₈O. The crystal packing is stabilized by N-HO hydrogen bonds. Apart from the orientation of the sulfonamide group, the conformation of the title compound agrees well with that of the recently published orthorhombic polymorph which does not contain any solvent.

Online 24 December 2004

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