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1-Methyl-5-nitro-imidazolium chloride.

Sophia BelliaGrace AndersonMatthias ZellerArsalan MirjafariPatrick C Hillesheim
Published in: IUCrData (2022)
The title salt, C 4 H 6 N 3 O 2 + ·Cl - , exhibits multiple hydrogen-bonding inter-actions involving the nitro-imidazolium cation and the chloride anion. Strong hydrogen bonds between the amine hydrogen atom and the chloride anion link the ionic moieties. Of note, with respect to H⋯Cl inter-actions, the central aromatic hydrogen atom displays a shorter inter-action than the other aromatic hydrogen atom. Finally, inter-actions are observed between the nitro moiety and methyl H atoms. While no π-π stacking is observed, anion-π inter-actions are present. The crystal was refined as a two-component twin.
Keyphrases
  • ionic liquid
  • molecular dynamics
  • visible light
  • amino acid