Abstract

The structural diversity of steroids as well as their surpassed biological potential qualify them as challenging targets for chemical synthesis
and as lead structures for pharmacological research. A total number of thirty-three structures of pregnane derivatives were obtained from
the CSD for a comparative analysis of their crystallographic structures, computation of their possible biological activities and molecular
packing interaction analysis. Intra and intermolecular interactions of the type X-H…A [X=C,O, N; A=O, N, S, Cl, F] have been analysed
for a better understanding of molecular packing in pregnane class of steroids and discussed on the basis of distance-angle scatter plots.
Molecular conformations of all the structures have been computed on the basis of the magnitude of torsion angles present in these
structures. Results presented in this paper is a part of our ongoing work on the crystallographic aspects of steroidal derivatives of different
classes.

Key words: pregnane, hydrogen bonding, bifurcated hydrogen bond, biological activity, intramolecular interactions, intermolecular interactions, steroids