A pseudopolymorph of valdecoxib | Zendy

Yathirajan Hemmige S. | Zendy; Narasegowda Rajenahally S. | Zendy; Nagaraja Padmarajaiah | Zendy; Bolte Michael | Zendy

AI Assistant Blog Pricing

Home ZAIA Blog

Open Access

A pseudopolymorph of valdecoxib

Author(s) -

Yathirajan Hemmige S.,

Narasegowda Rajenahally S.,

Nagaraja Padmarajaiah,

Bolte Michael

Publication year - 2005

Publication title -

acta crystallographica section e

Language(s) - English

Resource type - Journals

ISSN - 1600-5368

DOI - 10.1107/s1600536804033598

Subject(s) - valdecoxib , amide , isoxazole , ketone , chemistry , orthorhombic crystal system , medicinal chemistry , benzene , hydrogen bond , solvent , crystal structure , organic chemistry , molecule , rofecoxib , cyclooxygenase , enzyme

Valdecoxib, C 16 H 14 N 2 O 3 S, 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 . C 16 H 14 N 2 O 3 S·0.5C 4 H 8 O. 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.

The content you want is available to Zendy users.

Already have an account? Click here to sign in.

Having issues? You can contact us here

Accelerating Research