The crystal structures of 1-(polyfluorophenylmethyl)-3-methylimidazolium bromide salts

Abstract

The crystal structures of 1-(2,3,5,6-tetrafluorophenylmethyl)-3-methylimidazolium bromide (2), 1-(2,3,4,5-tetrafluorophenylmethyl)-3-methylimidazolium bromide (3), 1-(2,4,6trifluorophenylmethyl)-3-methylimidazolium bromide (4) and 1-(2,3,6-trifluorophenylmethyl)-3-methylimidazolium bromide ( 5) have been determined. The structures contain non-covalent interactions: hydrogen bonding, anion-π and π-π stacking interactions. The strengths of these interactions have been calculated using DFT. The structures and interactions are compared with those of 1-(2,3,4,5,6-pentafluorophenylmethyl)-3-methylimidazolium bromide (1) and 1-(2,6difluorophenylmethyl)-3-methylimidazolium bromide (6).