Information card for entry 2238196

Structure parameters

• Chemical name: 2-Amino-4-methylpyridinium 3-hydroxybenzoate
• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• SMILES: [nH+]1ccc(cc1N)C.Oc1cc(ccc1)C(=O)[O-]
• Title of publication: 2-Amino-4-methylpyridinium 3-hydroxybenzoate
• Authors of publication: Khalib, Nuridayanti Che; Thanigaimani, Kaliyaperumal; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1120
• a: 15.4435 ± 0.0002 Å
• b: 15.4435 ± 0.0002 Å
• c: 21.0395 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5017.96 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes