Most of the crystallographic analysis that follows from structure determination involves interpretation of the molecular geometry and a
working knowledge of a variety of intra- and intermolecular interactions based purely on geometrical considerations (distance and angle cut
off criteria). In this paper, a total of fifty-nine structures of cholane derivatives have been chosen for the prediction of their biological
activities and hydrogen bonding interaction analysis. Intermolecular interactions of the type X-H…A [X=C, O, N; A=O, Cl, N, Br] in all
the structures have been computed and discussed primarily on the basis of distance-angle scatter for better understanding of molecular
packing in cholane derivatives. In some structures, bifurcated hydrogen bonds have been observed. Solute-solvent/solvent-solute
interactions have also been investigated to understand more complicated processes that occur for biomolecules in aqueous solution.
Key words: cholane; biological activity, intermolecular hydrogen bonding, bifurcated hydrogen bond, solute-solvent interaction
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