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

IUCrData Pub Date : 2024-12-10 eCollection 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

The cation of the title salt, C15H14N3O3 +·Br-, has a dihedral angle of 24.26 (6)° between its fused imidazole and 4-nitro-phenyl rings and the N-C-C-O torsion angle associated with the hy-droxy-ethyl 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 supra-molecular 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。
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