Crystal Research and Technology
Cryst. Res. Technol. 36 (2001) 1435 - Abstract -

P. Kumaradhas, N. Kalyanam*, K. A. Nirmala

Department of Physics, Bangalore University, Bangalore, India
*SPIC Pharmaceuticals Division, R & D Centre, Maraimalai Nagar, India

Crystal and Molecular Structure of (9R)-10,11-dihydro-6'-methoxy-cinchonan-9-ol-4-chlorobenzoate hydrochloride

The crystal structure of the title compound has been determined by single crystal X-ray diffraction methods. C27H29N2O3Cl.HCl is one of the cinchona alkaloids. It crystallizes in the space group P2l2l2l with a = 11.745(3), b = 12.353(6), c = 17.253(6) Å and Z = 4. The structure was refined to a final R value of 0.062 for 2155 observed reflections. The C-N distances are unequal in the quinoline ring system. In quinulidine ring, the bonds around N are more tetrahedral. The spatial arrangement and torsion angles show the open conformation of the molecule. The molecular packing is stabilized by hydrogen bonding.

Keywords: crystal structure


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