Information card for entry 2238542

Structure parameters

• Common name: 2,3-Xylidinium nitrate
• Chemical name: 2,3-Dimethylanilinium nitrate
• Formula: C8 H12 N2 O3
• Calculated formula: C8 H12 N2 O3
• SMILES: N(=O)(=O)[O-].c1(c([NH3+])cccc1C)C
• Title of publication: 2,3-Xylidinium nitrate
• Authors of publication: Kefi, Chourouk; Marouani, Houda; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1475
• a: 10.889 ± 0.002 Å
• b: 10.11 ± 0.002 Å
• c: 17.01 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1872.6 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.3175
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.56083 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes