Information card for entry 2238225

Structure parameters

• Chemical name: Benzamidinium 2-methoxybenzoate
• Formula: C15 H16 N2 O3
• Calculated formula: C15 H16 N2 O3
• SMILES: NC(=[NH2+])c1ccccc1.[O-]C(=O)c1c(OC)cccc1
• Title of publication: Benzamidinium 2-methoxybenzoate
• Authors of publication: Portalone, Gustavo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1114 - o1115
• a: 7.5154 ± 0.0003 Å
• b: 9.1393 ± 0.0004 Å
• c: 11.6498 ± 0.0005 Å
• α: 69.612 ± 0.003°
• β: 80.5 ± 0.005°
• γ: 72.482 ± 0.004°
• Cell volume: 713.64 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0892
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1482
• Weighted residual factors for all reflections included in the refinement: 0.1613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes