Information card for entry 2231225

Structure parameters

• Chemical name: 2-Amino-3-carboxypyridinium nitrate
• Formula: C6 H7 N3 O5
• Calculated formula: C6 H7 N3 O5
• SMILES: C(=O)(c1ccc[nH+]c1N)O.N(=O)(=O)[O-]
• Title of publication: 2-Amino-3-carboxypyridinium nitrate
• Authors of publication: Berrah, Fadila; Bouacida, Sofiane; Roisnel, Thierry
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o2057 - o2058
• a: 16.122 ± 0.002 Å
• b: 16.122 ± 0.002 Å
• c: 12.446 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3235 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes