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Structural investigation of weak intermolecular interactions (Hydrogen and Halogen Bonds) in fluorine-substituted benzimidazoles

AuthorsPérez-Torralba, Marta; García, M. Ángeles; López, Concepción; Torralba, M. Carmen; Torres, M. Rosario; Claramunt, Rosa M.
Issue Date2014
PublisherAmerican Chemical Society
CitationCrystal Growth and Design 14: 3499- 3509 (2014)
AbstractThe structures of five fluorinated benzimidazoles and one intermediate (an open double amide) have been determined by X-ray crystallography. In the analysis of these heterocycles, particular attention has been paid to N-H⋯H hydrogen bonds and to fluorine-fluorine intermolecular contacts. Thus, one of the shortest F⋯F distances ever reported, 2.596(3) Å, has been observed in 4,5,6,7-tetrafluoro-1H-benzimidazole-2(3H)-one. The 13C, 15N, and 19F solid-state NMR data for all benzimidazoles are also given.
Identifiersdoi: 10.1021/cg500442k
issn: 1528-7483
e-issn: 1528-7505
Appears in Collections:(IQM) Artículos
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