Information card for entry 2234724

Structure parameters

• Chemical name: 4,5-Dibromo-1,2-dimethyl-1<i>H</i>-imidazol-3-ium bromide
• Formula: C5 H7 Br3 N2
• Calculated formula: C5 H7 Br3 N2
• SMILES: Brc1n(c([nH+]c1Br)C)C.[Br-]
• Title of publication: 4,5-Dibromo-1,2-dimethyl-1<i>H</i>-imidazol-3-ium bromide
• Authors of publication: Bahnous, Mebarek; Bouraiou, Abdelmalek; Bouacida, Sofiane; Roisnel, Thierry; Belfaitah, Ali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1391
• a: 5.5938 ± 0.0003 Å
• b: 11.2522 ± 0.0006 Å
• c: 14.4864 ± 0.0009 Å
• α: 90°
• β: 104.571 ± 0.003°
• γ: 90°
• Cell volume: 882.48 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes