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Comparative Crystallographic and Hydrogen-bonding Analysis of Pregnane Derivatives

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Abstract

A crystallographic comparison comprised of some geometrical and structural features of a steroids series (pregnane derivatives) is made in the present paper. Some selected bond distances and bond angles of interest are discussed in detail. Conformations of individual ring systems in a series of 46 pregnane derivatives have been calculated and discussed. Correlation of ring conformations especially the rarer ones, vis-a-vis the multiple bonds and ring junctions has been discussed. Graphical presentations of ring conformations are made for all the five- and six-membered rings to show the relative frequency of their occurrence. 17β-side chain conformation is discussed in some pregn-20-one structures. X–H···A intra- and intermolecular interactions in the identified derivatives have been discussed with the standard distance and angle cut-off criteria. Distance-angle scatter plots for both kinds of interactions are presented for a better understanding of the packing interactions which exist in pregnane molecules.

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Acknowledgements

Rajnikant is grateful to Science and Engineering Research Council of the Department of Science and Technology, Govt. of India for funding under a sponsored project (No. SR/S2/CMP-47/2003).

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Authors and Affiliations

  1. Condensed Matter Physics Group, Post-Graduate Department of Physics, University of Jammu, Jammu Tawi, 180006, India

    Verma Rajnikant, Dinesh Jasrotia & Bhavnaish Chand

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  1. Verma Rajnikant
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  2. Dinesh Jasrotia
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  3. Bhavnaish Chand
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Correspondence to Verma Rajnikant.

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Rajnikant, V., Jasrotia, D. & Chand, B. Comparative Crystallographic and Hydrogen-bonding Analysis of Pregnane Derivatives. J Chem Crystallogr 38, 211–230 (2008). https://doi.org/10.1007/s10870-007-9294-6

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