Journal
EUROPEAN JOURNAL OF ORGANIC CHEMISTRY
Volume 2007, Issue 35, Pages 5821-5825Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejoc.200700809
Keywords
molecular recognition; noncovalent interactions; ab initio calculations; pi interactions
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We report the synthesis and X-ray characterization of an N,N'-tetramethylenebis(2-aminopyrimidinium) tetrafluoroborate salt that exhibits anion-pi interactions that are responsible for the crystal packing. The anion forms a sandwich complex with two pyrimidine rings. When the anion is nitrate, the crystal packing is governed by anion-pi interactions and hydrogen bonds, and the sandwich complex is not formed. Finally, a theoretical study of the anion-pi interactions in charged pyrimidine rings is in good agreement with the experimental findings. ((c) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2007)
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