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

IUCrData Pub Date : 2024-12-01 Epub Date: 2024-12-10 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。
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Re-refinement of dineodymium tris-[sulfate-(VI)] tetra-hydrate. Bis{μ-1,3-bis-[dimeth-yl(pyridin-3-yl)sil-yl]propane-κ2 N:N'}bis-[di-iodido-zinc(II)] from synchrotron data. [(1,2,5,6-η)-Cyclo-octa-1,5-diene]bis-(1-methyl-3-propylimidazol-2-yl-idene-κC)iridium(I) tetra-fluorido-borate. Prop-2-enyl 6-amino-5-cyano-4-(4-iso-propylphen-yl)-2-methyl-4H-pyran-3-carboxyl-ate. Erratum: 2-(3-(4-Bromophenyl)-5-{3-[5-methyl-1-(4-methylphenyl)-1H-1,2,3-triazol-4-yl]-1-phenyl-1H-pyrazol-4-yl}-4,5-dihydro-1H-pyrazol-1-yl)-4-(4-chlorophenyl)-1,3-thiazole. Corrigendum.
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