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

Rajalakshmi, K and Pattabhi, V and Venkatesan, CS and Nadamun, G and Srikrishna, A (2000) Crystal Structure Analysis of Synthetic Cholestrol Compounds-Vitamin D3-Analogues. In: Crystal Research and Technology, 35 (11-12). pp. 1383-1394.

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The title compound 1 ( 24-(S)-Hydroxycholesta-1,4-dien-3-one ) crystallises in orthorhombic space group $P2_12_12_1$ with z =4.The unit cell dimensions are a=7.5882(9)Å, b=10.0745(14)Å, c = 31.2553(23)Å, $V =2389.4(5)Å^3$, $D_{cal} =1.108Mg/m^3$. 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, \beta =96.43(2)°, $V=4849.0(2)Å^3$, $D_{cal}=1.092Mg/m^3$ . 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.

Item Type: Journal Article
Additional Information: The copyright belongs to WILEY-VCH Verlag Berlin GmbH.
Keywords: Vitamin d3 analogues;Crystal structure;Cholestrol compounds;Steroids;Chairconformation
Department/Centre: Division of Chemical Sciences > Organic Chemistry
Depositing User: Sandhya Jagirdar
Date Deposited: 11 Jun 2006
Last Modified: 27 Aug 2008 12:10
URI: http://eprints.iisc.ac.in/id/eprint/7577

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