Halliru Ibrahim , Sizwe J. Zamisa , Muhammad D. Bala , Pinkie Ntola , Holger B. Friedrich
{"title":"3-(2-Hydroxyethyl)-1-(4-nitrophenyl)-1H-imidazol-3-ium bromide","authors":"Halliru Ibrahim , Sizwe J. Zamisa , Muhammad D. Bala , Pinkie Ntola , Holger B. Friedrich","doi":"10.1107/S2414314624011386","DOIUrl":null,"url":null,"abstract":"<div><div>The crystal structure of an imidazolium bromide salt is described.</div></div><div><div>The molecular 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-nitrobenzene moieties with a dihedral angle of 8.99 (14)° between their planes. A prominent feature in the molecular 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).<span><figure><span><img><ol><li><span><span>Download: <span>Download high-res image (192KB)</span></span></span></li><li><span><span>Download: <span>Download full-size image</span></span></span></li></ol></span></figure></span></div></div>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 11","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-11-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11618875/pdf/","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/org/science/article/pii/S2414314624001081","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
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Abstract
The crystal structure of an imidazolium bromide salt is described.
The molecular structure of the title salt, C11H12N3O3+·Br−, reveals near co-planarity between the the imidazole and 4-nitrobenzene moieties with a dihedral angle of 8.99 (14)° between their planes. A prominent feature in the molecular 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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