Statistics-Based Design of Multicomponent Molecular Crystals with the Three-Center Hydrogen Bond

2009-04-01T00:00:00Z (GMT) by Sagi Eppel Joel Bernstein
A statistical survey was carried out to determine the probability for combinations of specific CO and NH groups to form a three-center hydrogen bond between one CO and two NH groups. The results show significantly higher probabilities for charged CO groups. These results were utilized to prepare six multicomponent crystals that exploit the three-center hydrogen bond mainly through the R42(8) motif.