Acta Crystallographica Section A

Foundations of Crystallography

Volume 62, Part 2 (March 2006)

research papers

Acta Cryst. (2006). A62, 136-145 [ doi:10.1107/S0108767305031041 ]

Comparative crystallographic and hydrogen-bonding analysis of cholestane derivatives

Rajnikant, Dinesh and C. Bhavnaish

Abstract: A crystallographic comparison comprised of some geometrical and structural features for a series of steroids (cholestane derivatives) is made in the present paper. Selected bond distances and bond angles of interest are discussed in detail. Conformations of individual ring systems in a series of 28 cholestane derivatives are calculated and discussed. Graphical presentations of ring conformations are made for all the five- and six-membered rings to show the frequency of their occurrence. X-HA intra- and intermolecular interactions in the identified molecules are discussed with the standard distance and angle cut-off criteria. Distance-angle scatter plots for both kinds of interactions are presented for better understanding of packing interactions existing in cholestane molecules.

Keywords: cholestane; crystal structure; hydrogen-bonded interactions; ring conformer.


	PDF file (72.0 kbytes) [ doi:10.1107/S0108767305031041/xo5005sup1.pdf ] Asymmetry parameters and average values of torsion angles for different conformations of rings A, B, C and D

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