Chemical and Pharmaceutical Bulletin
Online ISSN : 1347-5223
Print ISSN : 0009-2363
ISSN-L : 0009-2363
Determination of the Absolute Configuration of (-)-2-Bromosuccinamic Acid by X-Ray Diffraction Method
YASUOKI MURAKAMIYOICHI IITAKA
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1969 Volume 17 Issue 12 Pages 2397-2404

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Abstract
Crystals of (-)-2-bromosuccinamic acid (C4H6O3NBr) are orthorhombic, with space group P212121 and lattice parameters a=7.70, b=9.23, c=8.88 A, containing four molecules in the unit cell. The structure was solved by the heavy atom method coupled with three-dimensional Fourier and difference Fourier synthese. The refinement was carried out by the full-matrix least-squares calculations. The final (R) value was 0.15. The absolute configuration was established to be (S) (-) by the anomalous dispersion method. The molecular and crystal structure were also discussed.
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© The Pharmaceutical Society of Japan
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