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Theoretical analysis of hydrogen bonds in carbohydrate crystals

Authors
Journal
Carbohydrate Research
0008-6215
Publisher
Elsevier
Publication Date
Volume
112
Issue
1
Identifiers
DOI: 10.1016/0008-6215(83)88262-7
Disciplines
  • Mathematics

Abstract

Abstract The rotational states of hydroxyl groups and the structure of hydrogen bonds in crystals of α- d-glucopyranose, β- d-glucopyranose, α- d-galactopyranose, β- d-galactopyranose, methyl α- d-altropyranoside, and methyl β- d-galactopyranoside are predicted by using the atom-atom potential method. Good agreement is observed between theoretical and neutron-diffraction data on the geometry of the hydrogen bond.

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