3-(2-Hy-droxy-eth-yl)-1-(4-nitro-phen-yl)-1 H-imidazol-3-ium bromide

IUCrdata. 2024 Nov 28;9(Pt 11):x241138. doi: 10.1107/S2414314624011386. eCollection 2024 Nov.

Abstract

The mol-ecular structure of the title salt, C11H12N3O3 +·Br-, reveals near co-planarity between the the imidazole and 4-nitro-benzene moieties with a dihedral angle of 8.99 (14)° between their planes. A prominent feature in the mol-ecular 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: crystal structure; hydrogen-bonding; imidazolium salt.