Journal
CRYSTAL ENGINEERING
Volume 6, Issue 2, Pages 69-77Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/S1463-0184(03)00068-6
Keywords
C-halogen...pi interactions; database study; macromolecules; weak interactions
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A Protein Data Bank (PDB) study was undertaken to investigate the role of C-X...pi interactions (X = F, Cl, Br, I) in protein structures. From this analysis, it is evident that the propensity for the formation of C-X...pi interactions is higher in case of fluorine than in other halogens. These results compare well with the recently reported C-X...pi interactions in small molecules and depict the orientational dependence of these interactions. (C) 2003 Elsevier Ltd. All rights reserved.
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