Information card for entry 2223427

Structure parameters

• Chemical name: 2,4,6-Trimethylanilinium bromide
• Formula: C9 H14 Br N
• Calculated formula: C9 H14 Br N
• SMILES: [Br-].[NH3+]c1c(cc(cc1C)C)C
• Title of publication: 2,4,6-Trimethylanilinium bromide
• Authors of publication: Cui, Li-Jing; Xu, Hai-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o2376
• a: 10.399 ± 0.002 Å
• b: 18.72 ± 0.004 Å
• c: 10.282 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2001.6 ± 0.7 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0788
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes