Information card for entry 2226979

Structure parameters

• Chemical name: 4-Ethylanilinium 2-carboxyacetate
• Formula: C11 H15 N O4
• Calculated formula: C11 H15 N O4
• SMILES: C(=O)(CC(=O)O)[O-].CCc1ccc(cc1)[NH3+]
• Title of publication: 4-Ethylanilinium 2-carboxyacetate
• Authors of publication: Wu, De-Hong; Wu, Qi-Qi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o2160
• a: 13.439 ± 0.003 Å
• b: 9.2914 ± 0.0019 Å
• c: 8.8827 ± 0.0018 Å
• α: 90°
• β: 99.177 ± 0.01°
• γ: 90°
• Cell volume: 1095 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes