Structural Investigation of Weak Intermolecular Interactions (Hydrogen and Halogen Bonds) in Fluorine-Substituted Benzimidazoles

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• 作者：Marta P茅rez-Torralba ; M. 脕ngeles Garc铆a ; Concepci贸n L贸pez ; M. Carmen Torralba ; M. Rosario Torres ; Rosa M. Claramunt ; Jos茅 Elguero
• 刊名：Crystal Growth & Design
• 出版年：2014
• 出版时间：July 2, 2014
• 年：2014
• 卷：14
• 期：7
• 页码：3499-3509
• 全文大小：682K
• ISSN：1528-7505

文摘

The 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鈥揌路路路H hydrogen bonds and to fluorine鈥揻luorine intermolecular contacts. Thus, one of the shortest F路路路F distances ever reported, 2.596(3) 脜, 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.