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KMID : 0043319880110020127
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Archives of Pharmacal Research
1988 Volume.11 No. 2 p.127 ~ p.133
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The Crystal Structure of Fenbufen 3-(4-Biphenylylcarbonyl)propionic acid (C16H14O3), A Non-steroidal Antiinflammatory Agent
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Kim YB
Park IY/Park YH
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Abstract
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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 group Pca21, a=31.918(10), b=5.550(2), c=15.078(9)angstroem, Dm=1.26 Dx=1.264g/cm3, and Z=8. The structure was solved by direct methods and refined by least-squares procedure to the final R value of 0.051 for 1780 independent reflections. Two molecules in the asymmetric unit are related by a pseudo center of symmetry and dimerized via 0-H...0 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 the a direction.
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KEYWORD
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