IUCrData (Nov 2024)

3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-imidazol-3-ium bromide

  • Halliru Ibrahim,
  • Sizwe J. Zamisa,
  • Muhammad D. Bala,
  • Pinkie Ntola,
  • Holger B. Friedrich

DOI
https://doi.org/10.1107/S2414314624011386
Journal volume & issue
Vol. 9, no. 11
p. x241138

Abstract

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The molecular structure of the title salt, C11H12N3O3+·Br−, reveals near co-planarity between the the imidazole and 4-nitrobenzene moieties with a dihedral angle of 8.99 (14)° between their planes. A prominent feature in the molecular packing is the bromide anion acting as a double acceptor for O—H...Br and C—H...Br hydrogen-bonds, leading to a linear chain propagating along [110]. The crystal studied was refined as an inversion twin, with the minor component = 0.081 (8).

Keywords