The crystal structure of fenbufen, 3-(4-biphenylylcarbonyl)propionic acid (C16H14O3), a non-steroidal antiinflammatory agent
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- Kim, Y.B., Park, I.Y. & Park, Y.H. Arch. Pharm. Res. (1988) 11: 127. doi:10.1007/BF02857715
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The crystal structure of fenbufen was determined by X-ray diffraction techniques. The compound was recrystallized in orthorhombic crystal system, space groupPca21,a=31.918(10),b=5.550(2),c=15.078(9) Å,Dm=1.26,Dx=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.