Journal of Chemical Crystallography

, Volume 38, Issue 3, pp 211–230 | Cite as

Comparative Crystallographic and Hydrogen-bonding Analysis of Pregnane Derivatives

  • Verma Rajnikant
  • Dinesh Jasrotia
  • Bhavnaish Chand
Review Paper


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.


Steroid Pregnane Ring conformer X–H···A interactions Solvent–solute hydrogen interactions 



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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Copyright information

© Springer Science+Business Media, LLC 2007

Authors and Affiliations

  • Verma Rajnikant
    • 1
  • Dinesh Jasrotia
    • 1
  • Bhavnaish Chand
    • 1
  1. 1.Condensed Matter Physics Group, Post-Graduate Department of PhysicsUniversity of JammuJammu TawiIndia

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