(3) - 2-Hy-droxy-eth-yl溴化1 - (4-nitro-phen-yl) 1 h-imidazol-3-ium。

IUCrData Pub Date : 2024-11-01 DOI:10.1107/S2414314624011386

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

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引用次数: 0

摘要

标题盐C11H12N3O3 +·Br-的分子结构显示咪唑和4-硝基苯之间的共平面，它们的平面之间的二面角为8.99（14）°。分子填充的一个突出特征是溴离子作为O-H⋯Br和C-H⋯Br氢键的双受体，导致沿线性链传播[110]。所研究的晶体被细化为反转孪晶，其小组分= 0.081(8)。

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

The crystal structure of an imidazolium bromide salt is described.

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).

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