Information card for entry 2223711

Structure parameters

• Common name: p-toluidinium nitrate
• Chemical name: 4-Methylanilinium nitrate
• Formula: C7 H10 N2 O3
• Calculated formula: C7 H10 N2 O3
• SMILES: c1(ccc(cc1)C)[NH3+].N(=O)(=O)[O-]
• Title of publication: 4-Methylanilinium nitrate
• Authors of publication: Benali-Cherif, Nourredine; Boussekine, Houda; Boutobba, Zina; Dadda, Noureddine
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2744
• a: 5.6725 ± 0.0009 Å
• b: 8.5507 ± 0.0008 Å
• c: 17.621 ± 0.002 Å
• α: 90°
• β: 98.771 ± 0.002°
• γ: 90°
• Cell volume: 844.69 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1236
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes