Information card for entry 2231506

Structure parameters

• Chemical name: 2-Amino-6-methylpyridinium 2-carboxybenzoate
• Formula: C14 H14 N2 O4
• Calculated formula: C14 H14 N2 O4
• SMILES: OC(=O)c1ccccc1C(=O)[O-].[nH+]1c(N)cccc1C
• Title of publication: 2-Amino-6-methylpyridinium 2-carboxybenzoate
• Authors of publication: Hemamalini, Madhukar; Razak, Ibrahim Abdul; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2402
• a: 7.473 ± 0.002 Å
• b: 8.386 ± 0.003 Å
• c: 11.818 ± 0.004 Å
• α: 97.401 ± 0.006°
• β: 102.94 ± 0.007°
• γ: 109.616 ± 0.006°
• Cell volume: 662.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes