Information card for entry 2213054

Structure parameters

• Chemical name: Ethyl 2-(2,3-dioxoindolin-1-yl)acetate
• Formula: C12 H11 N O4
• Calculated formula: C12 H11 N O4
• SMILES: C1(=O)C(=O)c2ccccc2N1CC(=O)OCC
• Title of publication: Ethyl 2-(2,3-dioxoindolin-1-yl)acetate
• Authors of publication: Robeyns, Koen; Rohand, Taoufik; Bouhfid, Rachid; Essassi, EL Mokhtar; Van Meervelt, Luc
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1747 - o1748
• a: 13.6433 ± 0.0006 Å
• b: 4.9505 ± 0.0003 Å
• c: 16.2899 ± 0.0008 Å
• α: 90°
• β: 104.246 ± 0.002°
• γ: 90°
• Cell volume: 1066.4 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0459
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes