Information card for entry 2204750

Structure parameters

• Common name: pyridine hydrogen nitrate
• Chemical name: pyridinium nitrate
• Formula: C5 H6 N2 O3
• Calculated formula: C5 H6 N2 O3
• SMILES: [nH+]1ccccc1.O=N(=O)[O-]
• Title of publication: Pyridinium nitrate at 120K
• Authors of publication: Batsanov, Andrei S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2426 - o2428
• a: 3.7756 ± 0.0009 Å
• b: 12.336 ± 0.003 Å
• c: 13.353 ± 0.003 Å
• α: 90°
• β: 88.6 ± 0.01°
• γ: 90°
• Cell volume: 621.7 ± 0.3 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes