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H-bond competition experiments in solution and the solid state†‡
James McKenzie,Neil Feeder,Christopher A. Hunter
CrystEngComm Pub Date : 12/21/2015 00:00:00 , DOI:10.1039/C5CE02223A
Abstract

The H-bonding outcomes in crystal structures of simple molecules, where two potential H-bonds can be formed, have been used to calculate relative H-bond probabilities for 59 combinations of H-bond donors and H-bond acceptors. H-bond probabilities are shown to correlate well with the difference in solution phase free energy between the two competing H-bonds.

Graphical abstract: H-bond competition experiments in solution and the solid state
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