Information card for entry 1546748

Structure parameters

• Common name: benzylammonium nitrate
• Chemical name: 4-Methoxybenzylammonium nitrate
• Formula: C8 H12 N2 O4
• Calculated formula: C8 H12 N2 O4
• SMILES: O(C)c1ccc(cc1)C[NH3+].O=N(=O)[O-]
• Title of publication: 4-Methoxybenzylammonium nitrate
• Authors of publication: Umarani, P.; Thiruvalluvar, A.; Ramachandra Raja, C.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 8
• Pages of publication: x171114
• a: 15.8203 ± 0.0017 Å
• b: 6.8156 ± 0.0007 Å
• c: 8.7275 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 941.04 ± 0.16 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0737
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes