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

Andrew C. Marr, Graham C. Saunders*, Hayden Thomas

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

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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-(2,4,6-trifluorophenylmethyl)-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-(2,6-difluorophenylmethyl)-3-methylimidazolium bromide (6).

Original languageEnglish
Article number109556
JournalJournal of Fluorine Chemistry
Publication statusPublished - 16 May 2020


  • Anion–π interaction
  • Crystal structure
  • DFT calculation
  • Hydrogen bonding
  • Imidazolium salt
  • π–π Stacking

ASJC Scopus subject areas

  • Biochemistry
  • Environmental Chemistry
  • Physical and Theoretical Chemistry
  • Organic Chemistry
  • Inorganic Chemistry


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