Information card for entry 2226823

Structure parameters

• Chemical name: 4-Aminopyridinium 2-hydroxybenzoate
• Formula: C12 H12 N2 O3
• Calculated formula: C12 H12 N2 O3
• SMILES: Oc1ccccc1C(=O)[O-].[nH+]1ccc(N)cc1
• Title of publication: 4-Aminopyridinium 2-hydroxybenzoate
• Authors of publication: Fun, Hoong-Kun; Hemamalini, Madhukar; Rajakannan, Venkatachalam
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2010 - o2011
• a: 12.5801 ± 0.0002 Å
• b: 11.4157 ± 0.0002 Å
• c: 15.756 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2262.73 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0808
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes