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

The cation of the title salt, C<sub>15</sub>H<sub>14</sub>N<sub>3</sub>O<sub>3</sub> <sup>+</sup>·Br<sup>-</sup>, 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 <i>bc</i> plane.

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IUCrData
Published
2024-12-10
DOI
https://doi.org/10.1107/s2414314624011684
Primary Topic
Crystal structures of chemical compounds
Type
article
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article

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

Muhammad D. Bala, Holger B. Friedrich, Halliru Ibrahim, Sizwe J. Zamisa et al.
IUCrData
Crystal structures of chemical compounds
article

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

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

Abstract

The cation of the title salt, C<sub>15</sub>H<sub>14</sub>N<sub>3</sub>O<sub>3</sub> <sup>+</sup>·Br<sup>-</sup>, 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 <i>bc</i> plane.

IUCrDataVol. 9(12)
Durban University of Technology (ZA), University of KwaZulu-Natal (ZA)
Inyuvesi Yakwazulu-Natali
Clean water and sanitation
Openalex Percentile: Top 82%
Crystal structures of chemical compounds
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3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1<i>H</i>-benzo[<i>d</i>]imidazol-3-ium bromide — Muhammad D. Bala, Holger B. Friedrich, et al. · IUCrData (2024) | TGRS Research Map | TGRS