Information card for entry 2237047

Structure parameters

• Chemical name: 4-Methoxybenzamidinium acetate
• Formula: C10 H14 N2 O3
• Calculated formula: C10 H14 N2 O3
• SMILES: O(c1ccc(cc1)C(=[NH2+])N)C.[O-]C(=O)C
• Title of publication: 4-Methoxybenzamidinium acetate
• Authors of publication: Irrera, Simona; Portalone, Gustavo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: o3277
• a: 8.7591 ± 0.0014 Å
• b: 6.5478 ± 0.0008 Å
• c: 19.456 ± 0.003 Å
• α: 90°
• β: 102.58 ± 0.014°
• γ: 90°
• Cell volume: 1089.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0749
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1304
• Weighted residual factors for all reflections included in the refinement: 0.1412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes