Information card for entry 1558281

Structure parameters

• Chemical name: 1-Benzyl-3-methylimidazolium bromide
• Formula: C11 H13 Br N2
• Calculated formula: C11 H13 Br N2
• SMILES: [Br-].c1c[n+](cn1C)Cc1ccccc1
• Title of publication: 1-Benzyl-3-methylimidazolium bromide
• Authors of publication: Peppel, Tim; Wulf, Christoph; Spannenberg, Anke
• Journal of publication: IUCrData
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 6
• a: 10.907 ± 0.0008 Å
• b: 18.8993 ± 0.0014 Å
• c: 21.6608 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4465 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0277
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0509
• 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