Information card for entry 2207678

Structure parameters

• Common name: 1,4-bis(2-methylimidazol-3-ium-1-ylmethyl)benzene dibromide
• Chemical name: 2,2'-Dimethyl-3,3'-(p-phenylenedimethylene)diimidazol-1-ium dibromide
• Formula: C16 H20 Br2 N4
• Calculated formula: C16 H20 Br2 N4
• SMILES: c1[nH+]c(C)n(Cc2ccc(Cn3cc[nH+]c3C)cc2)c1.[Br-].[Br-]
• Title of publication: 2,2'-Dimethyl-3,3'-(<i>p</i>-phenylenedimethylene)diimidazol-1-ium dibromide
• Authors of publication: Liliana Dobrzańska
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4113 - o4115
• a: 7.7378 ± 0.0008 Å
• b: 16.008 ± 0.0016 Å
• c: 7.2599 ± 0.0007 Å
• α: 90°
• β: 109.115 ± 0.002°
• γ: 90°
• Cell volume: 849.68 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes