Crystal Research and Technology
Cryst. Res. Technol. 35 (2000) 1383 - Abstract -

K. Rajalakshmi, V. Pattabhi, C. S. Venkatesan*, G. Nadamuni*, A. Srikrishna**

Department of Crystallography and BioPhysics, University of Madras, Guindy Campus, Madras, India
*M/S.Gland Pharma Limited, Hyderabad, India
**Department of Organic Chemistry, Indian Institute of Science, Bangalore, India

Crystal Structure Analysis of Synthetic Cholestrol Compounds-Vitamin D3-Analogues

The title compound 1 ( 24-(S)-Hydroxycholesta-1,4-dien-3-one ) crystallises in orthorhombic space group P212121 with z =4.The unit cell dimensions are a=7.5882(9)Å, b=10.0745(14)Å, c = 31.2553(23)Å, V =2389.4(5)Å3, Dcal =1.108Mg/m3. The title compound 2 ( 24-(R)-Hydroxycholesta-1,4-dien-3-one ) crystallises in monoclinic space group C2 with two molecules per assymetric unit and with Z=8. The Unit cell dimensions are a=16.752(4)Å, b=12.578(4)Å ,c=23.160(5)Å, β =96.43(2)°, V=4849.0(2)Å3, Dcal=1.092Mg/m3 . In compound 1 and in both the molecules of compound 2 the ring A deviates from planarity,the rings B & C are in chair conformation and the five membered ring D is in envelope conformation. The priority sequence attached to the chiral carbon C24 has ‘S’designation in compound 1 and ‘R’designation in compound 2. The structures are stabilized by O-H---O hydrogen bonds.

Keywords: vitamin D3 analogues, crystal structure, cholestrol compounds, steroids, chairconformation


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