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|Title:||A comparative crystallographic analysis of the X-ray structure of three cholest-based steroidal molecules|
|Keywords:||Steroids;X-ray diffraction;Crystal structure;Hydrogen bonding|
|Abstract:||The molecular and crystal structures of (+)-4-cholesten-3-one 1 cholesteryl chloroformate 2 and cholesteryl-caprylate 3 have been determined by using X-ray crystallographic and computational techniques. All the three compounds crystallize in the monoclinic space group P2₁ with unit cell parameters: a=10.683(5)Å, b=7.861(2), c=14.616(2), β=105.8(2)º for , a=12.294(2)Å, b=9.399(8), c=12.787(2), β=113.3(1)º for  and a = 12.778(9), b = 9.201(4), c = 14.063(6) Å, β = 93.85(4)º for . The number of molecules per unit cell in case of each structure is 2. The final R-factor for  is 0.054,  0.077 and  0.068. Besides some interesting geometrical and structural features, all the three molecules exhibit C-H…O hydrogen bonding. A comparative crystallographic analysis of all the three molecules has been reported in this paper.|
|Appears in Collections:||IJC-B Vol.46B(11) [November 2007]|
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|IJCB 46B(11) (2007) 1855-1859.pdf||167.18 kB||Adobe PDF||View/Open|
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