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

The mol-ecular structure of the title salt, C<sub>11</sub>H<sub>12</sub>N<sub>3</sub>O<sub>3</sub> <sup>+</sup>·Br<sup>-</sup>, reveals near co-planarity between the the imidazole and 4-nitro-benzene moieties with a dihedral angle of 8.99 (14)° between their planes. A prominent feature in the mol-ecular 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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IUCrData
Published
2024-11-28
DOI
https://doi.org/10.1107/s2414314624011386
Citations
1
Primary Topic
Synthesis and Reactions of Organic Compounds
Type
article
Field-Weighted Citation Impact
0.25

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article

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

Muhammad D. Bala, Holger B. Friedrich, Halliru Ibrahim, Sizwe J. Zamisa et al.
1 citations
IUCrData
Synthesis and Reactions of Organic Compounds
0.25
article

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

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

Abstract

The mol-ecular structure of the title salt, C<sub>11</sub>H<sub>12</sub>N<sub>3</sub>O<sub>3</sub> <sup>+</sup>·Br<sup>-</sup>, reveals near co-planarity between the the imidazole and 4-nitro-benzene moieties with a dihedral angle of 8.99 (14)° between their planes. A prominent feature in the mol-ecular 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).

IUCrDataVol. 9(11)
Durban University of Technology (ZA), University of KwaZulu-Natal (ZA)
Inyuvesi Yakwazulu-Natali
Clean water and sanitation
Openalex Percentile: Top 46%
Synthesis and Reactions of Organic Compounds
0.25
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3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1<i>H</i>-imidazol-3-ium bromide — Muhammad D. Bala, Holger B. Friedrich, et al. · IUCrData (2024) | TGRS Research Map | TGRS