Information card for entry 2227202

Structure parameters

• Chemical name: 2-Amino-5-methylpyridinium 2-hydroxybenzoate
• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• SMILES: [nH+]1c(N)ccc(c1)C.Oc1ccccc1C(=O)[O-]
• Title of publication: 2-Amino-5-methylpyridinium 2-hydroxybenzoate
• Authors of publication: Quah, Ching Kheng; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2255 - o2256
• a: 13.211 ± 0.007 Å
• b: 7.17 ± 0.004 Å
• c: 14.324 ± 0.007 Å
• α: 90°
• β: 104.668 ± 0.011°
• γ: 90°
• Cell volume: 1312.6 ± 1.2 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes