Information card for entry 2221417

Structure parameters

• Chemical name: 2-Amino-3-nitropyridinium hydrogen oxalate
• Formula: C7 H7 N3 O6
• Calculated formula: C7 H7 N3 O6
• SMILES: [O-]C(=O)C(=O)O.O=N(=O)c1c([nH+]ccc1)N
• Title of publication: 2-Amino-3-nitropyridinium hydrogen oxalate
• Authors of publication: Akriche, Samah; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o793
• a: 15.268 ± 0.004 Å
• b: 6.921 ± 0.003 Å
• c: 8.807 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 930.6 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes