Halliru Ibrahim, Sizwe J Zamisa, Muhammad D Bala, Pinkie Ntola, Holger B Friedrich
{"title":"3-(2-Hy-droxy-eth-yl)-1-(4-nitro-phen-yl)-1<i>H</i>-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":"<p><p>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).</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 Pt 11","pages":"x241138"},"PeriodicalIF":0.0000,"publicationDate":"2024-11-28","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://doi.org/10.1107/S2414314624011386","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/11/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
The mol-ecular structure of the title salt, C11H12N3O3+·Br-, 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).