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Crystal Structure Analysis of Synthetic Cholestrol Compounds‐Vitamin D3‐Analogues
Author(s) -
Rajalakshmi K.,
Pattabhi V.,
Venkatesan C.S.,
Nadamuni G.,
Srikrishna A.
Publication year - 2000
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/1521-4079(200011)35:11/12<1383::aid-crat1383>3.0.co;2-p
Subject(s) - monoclinic crystal system , orthorhombic crystal system , chemistry , ring (chemistry) , molecule , planarity testing , crystal structure , stereochemistry , hydrogen bond , crystallography , unit (ring theory) , mathematics education , mathematics , organic chemistry
The title compound 1 ( 24‐(S)‐Hydroxycholesta‐1,4‐dien‐3‐one ) crystallises in orthorhombic space group P2 1 2 1 2 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, β =96.43(2)°, V=4849.0(2)Å 3 , Dcal=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.