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KMID : 0043319860090040223
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Archives of Pharmacal Research
1986 Volume.9 No. 4 p.223 ~ p.227
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Refinement of the Structure of Alclofenac, 4-Allyloxy-3-Chlorophenyl acetic acid (C11H11O3Cl)
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Kim YB
Kim SJ/Koo CH
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Abstract
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The structure of alclofenac was determined by single crystal X-ray diffraction analysis. The compound was recrystallized from chloroform solution in monoclinic system, space group C2/c, with Z=8, a=23.349 (9), b = 14.295 (3), c = 7.192 (2) angstrom, beta = 111.32 (3)o, and dobs = l.29, dcalc = l.30. The structure was solved by direct method and refined by least-squares procedure to the final R-value being 0. 044 for 1055 reflections (F > or = 6 sigma (F)). The molecules are dimerized by OH..O type hydrogen bonds related by two-fold axis.
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KEYWORD
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