Original Articles

Archives of Pharmacal Research

, 11:127

First online:

The crystal structure of fenbufen, 3-(4-biphenylylcarbonyl)propionic acid (C16H14O3), a non-steroidal antiinflammatory agent

  • Yang Bae KimAffiliated withCollege of Pharmacy, Seoul National University
  • , Il Yeong ParkAffiliated withCollege of Pharmacy, Seoul National University
  • , Yang Hwan ParkAffiliated withCollege of Pharmacy, Seoul National University

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Abstract

The crystal structure of fenbufen was determined by X-ray diffraction techniques. The compound was recrystallized in orthorhombic crystal system, space groupPca2 1 ,a=31.918(10),b=5.550(2),c=15.078(9) Å,D m =1.26,D x =1.264 g/cm3, andZ=8. The structure was solved by direct methods and refined by least-squares procedure to the finalR value of 0.051 for 1780 independent reflections. Two molecules in the asymmetric unit are related by a pseudo center of symmetry and dimerizedvia O−H…O hydrogen bonds. The carbonyl group attached to the phenyl ring is nearly coplanar to the ring. In the crystal the molecules are arranged in parallel stacks in thea direction.

Key words

non-steroidal antiinflammatory agent fenbufen X-ray diffraction