Information card for entry 2203729

Structure parameters

• Chemical name: Anilinium nitrate
• Formula: C6 H8 N2 O3
• Calculated formula: C6 H8 N2 O3
• SMILES: [NH3+]c1ccccc1.N(=O)(=O)[O-]
• Title of publication: Anilinium nitrate
• Authors of publication: Rademeyer, Melanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o958 - o960
• a: 9.255 ± 0.004 Å
• b: 10.161 ± 0.004 Å
• c: 16.188 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1522.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes