Information card for entry 2202756

Structure parameters

• Chemical name: Benzylammonium nitrate
• Formula: C7 H10 N2 O3
• Calculated formula: C7 H10 N2 O3
• SMILES: O=N(=O)[O-].c1(ccccc1)C[NH3+]
• Title of publication: Benzylammonium nitrate
• Authors of publication: Rademeyer, Melanie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1860 - o1861
• a: 9.817 ± 0.002 Å
• b: 11.043 ± 0.003 Å
• c: 15.819 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1714.9 ± 0.7 ų
• Cell temperature: 120 ± 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: 0.0876
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes