Information card for entry 2231473

Structure parameters

• Chemical name: 4-Methoxyanilinium nitrate
• Formula: C7 H10 N2 O4
• Calculated formula: C7 H10 N2 O4
• SMILES: O(c1ccc([NH3+])cc1)C.N(=O)(=O)[O-]
• Title of publication: 4-Methoxyanilinium nitrate
• Authors of publication: Rahmouni, Hajer; Smirani Sta, Wajda; Al-Deyab, S. Salem; Rzaigui, Mohamed
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2334
• a: 14.724 ± 0.002 Å
• b: 7.304 ± 0.003 Å
• c: 17.509 ± 0.002 Å
• α: 90°
• β: 112.84 ± 0.02°
• γ: 90°
• Cell volume: 1735.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 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: 0.2129
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1603
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.926
• Diffraction radiation wavelength: 0.56085 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes