Information card for entry 2219727

Structure parameters

• Chemical name: 2-Amino-5-cyanopyridinium nitrate
• Formula: C6 H6 N4 O3
• Calculated formula: C6 H6 N4 O3
• SMILES: c1cc(c[nH+]c1N)C#N.N(=O)(=O)[O-]
• Title of publication: 2-Amino-5-cyanopyridinium nitrate
• Authors of publication: Dai, Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: o1899
• a: 4.6475 ± 0.0009 Å
• b: 12.713 ± 0.003 Å
• c: 13.417 ± 0.003 Å
• α: 90°
• β: 97.91 ± 0.03°
• γ: 90°
• Cell volume: 785.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1099
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes