A new database has been created for chemical groups and their hydrogen-bonded contacts for 41055 organic crystals. The accessible surface of an atom and the ratio between the number of donors and acceptors in a compound have been found to be useful parameters to predict the probable number of contacts for that atom.
L. Infantes and W. D. S. Motherwell, Chem. Commun., 2004, 1166 DOI: 10.1039/B402939A
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