Halliru Ibrahim, Sizwe J Zamisa, Muhammad D Bala, Pinkie Ntola, Holger B Friedrich
{"title":"3 (2-Hy-droxy-eth-yl)达到华(4-nitro-phen-yl) [d] -1H-benzo imidazol-3-ium bromide .","authors":"Halliru Ibrahim, Sizwe J Zamisa, Muhammad D Bala, Pinkie Ntola, Holger B Friedrich","doi":"10.1107/S2414314624011684","DOIUrl":null,"url":null,"abstract":"<p><p>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.</p>","PeriodicalId":94324,"journal":{"name":"IUCrData","volume":"9 Pt 12","pages":"x241168"},"PeriodicalIF":0.0000,"publicationDate":"2024-12-10","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701757/pdf/","citationCount":"0","resultStr":"{\"title\":\"3-(2-Hy-droxy-eth-yl)-1-(4-nitro-phen-yl)-1<i>H</i>-benzo[<i>d</i>]imidazol-3-ium bromide.\",\"authors\":\"Halliru Ibrahim, Sizwe J Zamisa, Muhammad D Bala, Pinkie Ntola, Holger B Friedrich\",\"doi\":\"10.1107/S2414314624011684\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p><p>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.</p>\",\"PeriodicalId\":94324,\"journal\":{\"name\":\"IUCrData\",\"volume\":\"9 Pt 12\",\"pages\":\"x241168\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-12-10\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC11701757/pdf/\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"IUCrData\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1107/S2414314624011684\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"2024/12/1 0:00:00\",\"PubModel\":\"eCollection\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"IUCrData","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1107/S2414314624011684","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2024/12/1 0:00:00","PubModel":"eCollection","JCR":"","JCRName":"","Score":null,"Total":0}
The cation of the title salt, C15H14N3O3+·Br-, 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 bc plane.
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