Halogen Interactions in 2,4,5-Tribromoimidazolium Salts

Abstract

The crystal structures of 2,4,5-tribromo-1-(prop-2-ynyl)imidazole and seven new 1,3-dialkyl-2,4,5-tribromoimidazolium salts (R1 = propenyl, propynyl, dibromopropenyl; R2 = Me, Et) with halogen-containing anions (tetrafluoroborate, hexafluorophosphate, triflimide) were determined. The structures revealed halogen...halogen and anion...π interactions. Contacts of the type Br...Br, Br...F, Br...O, Br...N, F...F, H...Br, H...F, F...π and O...π were identified. Specific interactions were quantified by Hirshfeld surface analysis.

Keywords

• bromine
• fluorine
• halogen interaction
• Hirshfeld surface analysis
• imidazole