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KMID : 0043319900130020166
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Archives of Pharmacal Research
1990 Volume.13 No. 2 p.166 ~ p.173
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The Crystal Structure of Naproxen Sodium, (C14H13O3Na), A Non-steroidal Antiinflammatory Agent
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Kim YB
Park IY/Lah WR
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Abstract
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The structure of the anti-inflammatory agent, naproxen sodium was determined by single crystal X-ray diffraction analysis. Crystal of the compound, which was recrystallized from methanol solution, is monoclinic, space group P21, with a=21.177(6), b=5.785(2), c=5.443(2) angstroem, beta=91.41(3)o, and Z=2. The calculated density is 1.346; the observed value is 1.35g/cm3. The structure was solved by direct method. Block diagonal least-squares refinements based on 1093 reflections (F > or = 3 sigma (F)) gave the final R value of 0.043. There are water molecules, which are thought to be absorbed during recrystallization, with the ratio of one water per one compound molecule in the crystal. The carboxyl group of the molecule is nearly perpendicular to the naphthalene ring. The molecules are arranged along with the screw axis, and stabilized by five 0...Na type interactions. The molecule retains nearly same dimensions and similar conformation compared to its parent compound, naproxen, except for the torsion angles around C(5)-C(11) bond.
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