FCCC LOGO Faculty Publications
Glusker JP
Directional aspects of intermolecular interactions
Design of Organic Solids. 1998 ;198 :1-56
PMID: ISI:000076496000001   
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Directional intermolecular interactions can be found by statistical analyses of the surroundings of functional groups in all crystal structures containing them. The mast notable such interaction is the hydrogen bond, which, if strong as between OK or NH groups and oxygen or nitrogen accepters, is approximately linear. This provides an important means of aligning molecules together. Analogous but weaker interactions described here are C-H ... O, F ... H and H ...pi, and also those between C-S-C groups and electrophiles or nudeophiles. Some directionality can also be identified in aromatic-aromatic interactions. Metal ion coordination can, in certain instances, also have a directional component, particularly if the coordination geometry is inflexible, as for the octahedral binding of divalent magnesium. The geometries of interactions of metal ions with various functional groups in proteins are described, and in many cases they are more rigid than the analogous interaction involving a hydrogen bond. The emerging use of crystal surfaces as probes of molecular recognition is then discussed. Finally some examples of molecular recognition in biological macromolecules are given; these stress the importance of pattern recognition in hydrogen bonding, together with the significance of weaker interactions.
Times Cited: 16 English Review BL73J