Information card for entry 2219816

Structure parameters

• Common name: 2-aminopyridinium p-hydroxy benzoate
• Chemical name: 2-Aminopyridinium 4-hydroxybenzoate
• Formula: C12 H12 N2 O3
• Calculated formula: C12 H12 N2 O3
• SMILES: Oc1ccc(cc1)C(=O)[O-].[nH+]1ccccc1N
• Title of publication: 2-Aminopyridinium 4-hydroxybenzoate
• Authors of publication: Quah, Ching Kheng; Jebas, Samuel Robinson; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2230
• a: 10.0647 ± 0.0002 Å
• b: 10.9369 ± 0.0002 Å
• c: 10.7985 ± 0.0002 Å
• α: 90°
• β: 111.036 ± 0.001°
• γ: 90°
• Cell volume: 1109.44 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes