Bulletin of the Korean Chemical Society

Korean Chemical Society (대한화학회)
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Crystal Structure of Antiinflammatory Sulindac

  • Koo Chung Hoe (Department of Chemistry, College of Natural Sciences, Seoul National University) ;
  • Kim Sang Hern (Department of Chemistry, College of Natural Sciences, Seoul National University) ;
  • Shin Wanchul (Department of Chemistry, College of Natural Sciences, Seoul National University)
  • 구정회 (서울대학교 자연과학대화학과) ;
  • 김상헌 (서울대학교 자연과학대화학과) ;
  • 신완철 (서울대학교 자연과학대화학과)
  • Published : 1985.08.20
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Abstract

The crystal structure of sulindac, $C_{20}H_{17}Fo_3S$, one of the nonsteroid antiinflammatory agents, has been determined by the X-ray diffraction techniques using diffractometer data obtained by the $\varpi-2{\theta}$ scan technique with Cu $$K_{\alpha}$$ 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) ${\AA}.$ 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 $35^{\circ}while$ the corresponding angle in indomethacin is $67^{\circ}.$ Crystal packing consists of a hydrogen bond and partial ring stacking between the indenyl rings.

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References

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