Hydrogen-bond coordination in organic crystal structures: statistics, predictions and applications.

Abstract

Statistical models to predict the number of hydrogen bonds that might be formed by any donor or acceptor atom in a crystal structure have been derived using organic structures in the Cambridge Structural Database. This hydrogen-bond coordination behaviour has been uniquely defined for more than 70 unique atom types, and has led to the development of a… (More)
DOI: 10.1107/S2052520613033003

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