Information card for entry 2226563

Structure parameters

• Chemical name: 3-Methylanilinium nitrate
• Formula: C7 H10 N2 O3
• Calculated formula: C7 H10 N2 O3
• SMILES: N(=O)(=O)[O-].c1c(cc(cc1)[NH3+])C
• Title of publication: 3-Methylanilinium nitrate
• Authors of publication: Rademeyer, Melanie; Liles, David C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1685
• a: 10.6599 ± 0.0014 Å
• b: 9.78 ± 0.0013 Å
• c: 16.401 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1709.9 ± 0.4 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: 0.0578
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes