A model for the hydrogen-bond-length probability distributions in the crystal structures of small-molecule components of the nucleic acids
- 1 April 1988
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta crystallographica Section B, Structural science, crystal engineering and materials
- Vol. 44 (2) , 193-198
- https://doi.org/10.1107/s0108768187011170
Abstract
The probability distributions of the N.sbd.H.cntdot..cntdot..cntdot.O.dbd.C and O.sbd.H.cntdot..cntdot..cntdot.O.dbd.C hydrogen-bond lengths observed in the crystal structures of the purines, pyrimidines, nucleosides and nucleotides have been fitted to a one-dimensional hydrogen-bond potential-energy function. In order to obtain a quantitative correspondence between the experimental and theoretical distributions, it is necessary to include with the usual hydrogen-bond-type potential energy function, an effective crystal-packing force and two thermodynamical parameters of the crystal lattice, the Debye temperature and the Gruneisen constant.This publication has 1 reference indexed in Scilit:
- A survey of hydrogen bond geometries in the crystal structures of amino acidsInternational Journal of Biological Macromolecules, 1982