Information card for entry 2014494

Structure parameters

• Common name: 4-nitroanilinium nitrate
• Chemical name: p-nitroanilinium nitrate
• Formula: C6 H7 N3 O5
• Calculated formula: C6 H7 N3 O5
• SMILES: [NH3+]c1ccc(cc1)N(=O)=O.N(=O)(=O)[O-]
• Title of publication: 4-Nitroanilinium nitrate
• Authors of publication: Genivaldo Julio Perpétuo; Jan Janczak
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o768 - o770
• a: 5.644 ± 0.001 Å
• b: 9.682 ± 0.002 Å
• c: 15.662 ± 0.003 Å
• α: 90°
• β: 95.23 ± 0.02°
• γ: 90°
• Cell volume: 852.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0583
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No