A pseudopolymorph of valdecoxib

Yathirajan, H. S. and Narasegowda, R. S. and Nagaraja, P. and Bolte, Michael (2005) A pseudopolymorph of valdecoxib. Acta Crystallographica Section E: Crystallographic Communications, 61 (1). o179-o181. ISSN 2056-9890

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Official URL: https://doi.org/10.1107/S1600536804033598

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-H...O 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.

Item Type: Article
Subjects: C Chemical Science > Chemistry
Divisions: Department of > Chemistry
Depositing User: manjula User
Date Deposited: 09 Sep 2019 07:47
Last Modified: 09 Sep 2019 07:47
URI: http://eprints.uni-mysore.ac.in/id/eprint/7821

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