Information card for entry 2213678

Structure parameters

• Chemical name: 6-chloro-3-hydroxy-3-(2-oxopropyl)indolin-2-one
• Formula: C11 H10 Cl N O3
• Calculated formula: C11 H10 Cl N O3
• SMILES: c1(ccc2c(c1)NC(=O)[C@@]2(CC(=O)C)O)Cl
• Title of publication: 6-Chloro-3-hydroxy-3-(2-oxopropyl)indolin-2-one
• Authors of publication: Xing, Xiao-Ning; Li, Liang; Zhu, Xiao-Yu; Chen, Jia-Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2969 - o2970
• a: 6.5958 ± 0.0006 Å
• b: 7.8459 ± 0.0008 Å
• c: 21.202 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1097.2 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1008
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes