Information card for entry 2214166

Structure parameters

• Common name: o-toluidinium nitrate
• Chemical name: 2-Methylanilinium nitrate
• Formula: C7 H10 N2 O3
• Calculated formula: C7 H10 N2 O3
• SMILES: c1(c(cccc1)C)[NH3+].N(=O)(=O)[O-]
• Title of publication: 2-Methylanilinium nitrate
• Authors of publication: Nourredine Benali-Cherif; Houda Boussekine; Zina Boutobba; Alima Kateb
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3287 - o3287
• a: 16.5632 ± 0.0002 Å
• b: 6.7242 ± 0.0002 Å
• c: 7.6849 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 855.9 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0916
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes