Information card for entry 2229818

Structure parameters

• Chemical name: 2-Oxoindolin-3-yl acetate
• Formula: C10 H9 N O3
• Calculated formula: C10 H9 N O3
• SMILES: O(C1c2c(NC1=O)cccc2)C(=O)C
• Title of publication: 2-Oxoindolin-3-yl acetate
• Authors of publication: Deng, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o897
• a: 10.617 ± 0.002 Å
• b: 12.256 ± 0.002 Å
• c: 7.4453 ± 0.0014 Å
• α: 90°
• β: 106.347 ± 0.002°
• γ: 90°
• Cell volume: 929.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0468
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes