3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-benzo[d]imidazol-3-ium bromide

IUCrData Pub Date : 2024-12-01 DOI:10.1107/S2414314624011684

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

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Abstract

In the crystal of the title salt, the bromide ions act as double acceptors for hydrogen bonds from a hydroxyl group (O—H⋯Br) and a fused imidazolium moiety (C—H⋯Br). Additionally, C—H⋯O hydrogen bonds between the phenyl group and hydroxyl oxygen atom create a two-dimensional supramolecular network extending diagonally in the crystallographic bc plane.

The cation of the title salt, C₁₅H₁₄N₃O₃⁺·Br⁻, has a dihedral angle of 24.26 (6)° between its fused imidazole and 4-nitrophenyl rings and the N—C—C—O torsion angle associated with the hydroxyethyl substituent is 60.15 (17)°. In the crystal, the bromide ions act as double acceptors for hydrogen bonds from a hydroxyl group (O—H⋯Br) and a fused imidazolium moiety (C—H⋯Br). Additionally, C—H⋯O hydrogen bonds between the phenyl group and hydroxyl oxygen atom create a two-dimensional supramolecular network extending diagonally in the crystallographic bc plane.

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3 (2-Hy-droxy-eth-yl)达到华(4-nitro-phen-yl) [d] -1H-benzo imidazol-3-ium bromide .

标题盐C15H14N3O3 +·Br-阳离子在咪唑和4硝基苯基环之间的二面角为24.26(6)°，与羟基乙基取代基相关的N-C-C-O扭转角为60.15（17）°。在晶体中，溴离子作为羟基（O-H⋯Br）和熔融咪唑部分（C-H⋯Br）氢键的双受体。此外，苯基和羟基氧原子之间的C-H⋯O氢键在晶体学bc平面上形成了一个斜向延伸的二维超分子网络。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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