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KMID : 0043319800030010037
Archives of Pharmacal Research
1980 Volume.3 No. 1 p.37 ~ p.49
The Crystal and Molecular Stucture of Chlorpropamide
Koo CH
Cho SI/Yeon YH
Abstract
Chlorpropamide,C10H13N2O3 SCl, forms orthorhombic crystals of space group P212121 with a 9.066 +/- 0.004, b = 5.218 +/- 0.003, c = 26.604 +/- 0.008 angstrom and four molecules per cell. Three dimensional photographic data were collected with Mo-K alhpa radiation. The structure was determined using Patterson, Fourier and Difference syntheses methods and refined by the block-diagonal least-squares methods with anisotropic thermal parameters for all hydrogen atoms and isotropic thermal parameters for all hydrogen atoms. The final R value was 0.10 for the 1823 observed independent reflections. The dihedral angle between the planes through the benzene ring. and the urea group is 99o. The conformational angle formed by the projection, of the S-C(1) with that of N(1)-C(7) when the projection is taken along the S-N(1) bond is 76o. The molecule appears to form with neighbouring molecules two hydrogen bonds, N(1)-H...O(3) and N(2)-H...O(2) of lengths 2.774 and 2.954angstrom respectively related by screw diads parallel to the a axis. Adjacent molecules parallel to b and c axis are bound together by van der Waals forces.
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