Information card for entry 2222920

Structure parameters

• Chemical name: 3-Hydroxy-3-[(2-methylpropanoyl)methyl]indolin-2-one
• Formula: C13 H15 N O3
• Calculated formula: C13 H15 N O3
• SMILES: OC1(C(=O)Nc2c1cccc2)CC(=O)C(C)C
• Title of publication: 3-Hydroxy-3-[(2-methylpropanoyl)methyl]indolin-2-one
• Authors of publication: Chen, Gang; Liu, Bin; Tang, Ying; Xu, Jingfang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1723
• a: 11.885 ± 0.002 Å
• b: 5.9244 ± 0.0012 Å
• c: 16.695 ± 0.003 Å
• α: 90°
• β: 98.6 ± 0.03°
• γ: 90°
• Cell volume: 1162.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes