Information card for entry 2209244

Structure parameters

• Chemical name: 4-Amino-(1-methylphenyl)pyridinium bromide
• Formula: C12 H13 Br N2
• Calculated formula: C12 H13 Br N2
• SMILES: [n+]1(ccc(N)cc1)Cc1ccccc1.[Br-]
• Title of publication: 4-Amino-(1-methylphenyl)pyridinium bromide
• Authors of publication: Seethalakshmi, T.; Kaliannan, P.; Venkatesan, P.; Fronczek, F. R.; Thamotharan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2353 - o2355
• a: 6.4916 ± 0.0005 Å
• b: 7.4037 ± 0.0005 Å
• c: 23.818 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1144.74 ± 0.15 ų
• Cell temperature: 115 ± 2 K
• Ambient diffraction temperature: 115 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes