Acta Crystallographica Section E (Feb 2009)

Cyclooxygenase-1-selective inhibitor SC-560

  • Charles D. Loftin,
  • Tonglei Li,
  • Kathryn L. Theiss,
  • Sihui Long

DOI
https://doi.org/10.1107/S1600536809001779
Journal volume & issue
Vol. 65, no. 2
pp. o360 – o360

Abstract

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In the title compound, 5-(4-chlorophenyl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole (SC-560), C17H12ClF3N2O, a COX-1-selective inhibitor, the dihedral angles between the heterocycle and the chlorobenzene and methoxybenzene rings are 41.66 (6) and 43.08 (7)°, respectively. The dihedral angle between the two phenyl rings is 59.94 (6)°. No classic hydrogen bonds are possible in the crystal, and intermolecular interactions must be mainly of the dispersion type. This information may aid the identification of dosage formulations with improved oral bioavailability.