Crystal Research and Technology
Cryst. Res. Technol. 35 (2000) 1117 - Abstract -

A. Abdul Ajees, K. Sekar*, S. Parthasarathy, K. Balakrishna**

Department of Crystallography and Biophysics, University of Madras, Guindy Campus, Chennai, India
*Bioinformatics Centre, Raman Building, Indian Institute of Science, Bangalore, India
**Captain Srinivasa Murti Drug Research Institute for Ayurveda, Chennai, India

Crystal and Molecular Structure of Desmodin

The crystal structure of the title compound has been determined from X-ray diffraction. The compound crystallizes from benzene in the orthorhombic system, space group P212121, with unit cell parameters: a = 8.485(2), b = 9.816(2), c = 22.597(4) Å, Z = 4, V = 1881.9(7) Å3. The structure was determined by direct methods and refined to a final R-factor of 0.04. Six membered rings B and E are planar. Ring A and ring C are in slightly distorted sofa conformation. Ring D is in envelope conformation. The structure is stabilised by weak intermolecular C-H...O hydrogen bonds.

Keywords: Desmodin, medicinal, plant product, X-ray structure, C-H...O hydrogen bonds


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