Information card for entry 2231288

Structure parameters

• Chemical name: 2-Aminoanilinium 2-carboxyacetate
• Formula: C9 H12 N2 O4
• Calculated formula: C9 H12 N2 O4
• SMILES: [O-]C(=O)CC(=O)O.[NH3+]c1ccccc1N
• Title of publication: 2-Aminoanilinium 2-carboxyacetate
• Authors of publication: Feng, Li-ping; Zhao, Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1881
• a: 12.735 ± 0.003 Å
• b: 5.7448 ± 0.0011 Å
• c: 14.429 ± 0.003 Å
• α: 90°
• β: 107.38 ± 0.03°
• γ: 90°
• Cell volume: 1007.4 ± 0.4 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: 0.0499
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1287
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes