A model for the hydrogen-bond-length probability distributions in the crystal structures of small-molecule components of the nucleic acids.
The probability distributions of the N-H...O = C and O-H...O = 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.
Lesyng
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Department of Crystallography, University of Pittsburgh, PA 15260.
Jeffrey
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GA
Maluszynska
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D055598:Chemical Phenomena; D002627:Chemistry, Physical; D003461:Crystallography; D006860:Hydrogen Bonding; D008954:Models, Biological; D009696:Nucleic Acids / Q000648:ultrastructure*; D009705:Nucleosides; D009711:Nucleotides; D011687:Purines; D011743:Pyrimidines
D009696:Nucleic Acids; D009705:Nucleosides; D009711:Nucleotides; D011687:Purines; D011743:Pyrimidines