Information card for entry 2013147

Structure parameters

• Chemical name: 2-aminopyridinium benzoate
• Formula: C12 H12 N2 O2
• Calculated formula: C12 H12 N2 O2
• SMILES: [O-]C(=O)c1ccccc1.[nH+]1c(N)cccc1
• Title of publication: 2-Aminopyridinium benzoate
• Authors of publication: Odabas̨oǧlu, Mustafa; Büyükgüngör, Orhan; Lönnecke, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: o51 - o52
• a: 12.2129 ± 0.0017 Å
• b: 11.5137 ± 0.0016 Å
• c: 15.456 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2173.4 ± 0.5 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes