Information card for entry 2239900

Structure parameters

• Chemical name: Ethyl 2-(4-chloroanilino)acetate
• Formula: C10 H12 Cl N O2
• Calculated formula: C10 H12 Cl N O2
• SMILES: c1(ccc(cc1)NCC(=O)OCC)Cl
• Title of publication: Crystal structure of ethyl 2-(4-chloroanilino)acetate
• Authors of publication: Bouali, Jamila; Hafid, Abderrafia; Khouili, Mostafa; Saadi, Mohamed; Ketatni, El Mostafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o1017
• a: 5.373 ± 0.005 Å
• b: 7.575 ± 0.007 Å
• c: 14.127 ± 0.012 Å
• α: 75.83 ± 0.04°
• β: 87.73 ± 0.03°
• γ: 72.99 ± 0.03°
• Cell volume: 532.8 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes