Crystal structure analysis of synthetic cholestrol compounds-Vitamin D3-analogues

Rajalakshmi, K. ; Pattabhi, V. ; Venkatesan, C. S. ; Nadamuni, G. ; Srikrishna, A. (2000) Crystal structure analysis of synthetic cholestrol compounds-Vitamin D3-analogues Crystal Research and Technology, 35 (11-12). pp. 1383-1394. ISSN 0232-1300

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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.

Item Type:Article
Source:Copyright of this article belongs to John Wiley and Sons.
Keywords:Vitamin D3 Analogues; Crystal Structure; Cholestrol Compounds; Steroids; Chairconformation
ID Code:48815
Deposited On:15 Jul 2011 12:29
Last Modified:15 Jul 2011 12:29

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