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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 6, Number 4
April 20, 1985 

Crystal Structure of Antiinflammatory Sulindac
Chung Hoe Koo, Sang Hern Kim, Wanchul Shin
The crystal structure of sulindac, C20H17FO3S, one of the nonsteroid antiinflammatory agents, has been determined by the X-ray diffraction techniques using diffractometer data obtained by the ω-2θ scan technique with Cu Kα radiation from a crystal with space group symmetry Pbca and unit cell parameters a = 8.166(1), b = 18.291(8), c = 23.245(10) Å. The structure was solved by direct methods and refined by full-matrix least-squares to a final R = 0.11 for the 1153 observed reflections. The carboxyl group is nearly perpendicular to the indenyl ring as observed in indomethacin. The dihedral angle between the indenyl and phenyl rings is 35°while the corresponding angle in indomethacin is 67°. Crystal packing consists of a hydrogen bond and partial ring stacking between the indenyl rings.
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