Information card for entry 7155279

Structure parameters

• Chemical name: 3-hydroxy-3-(3-methylbenzyl)indolin-2-one
• Formula: C16 H15 N O2
• Calculated formula: C16 H15 N O2
• SMILES: OC1(C(=O)Nc2c1cccc2)Cc1cc(ccc1)C
• Title of publication: Ruthenium-catalyzed direct α-alkylation of amides using alcohols.
• Authors of publication: Chaudhari, Moreshwar Bhagwan; Bisht, Girish Singh; Kumari, Pooja; Gnanaprakasam, Boopathy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 39
• Pages of publication: 9215 - 9220
• a: 10.952 ± 0.003 Å
• b: 11.34 ± 0.004 Å
• c: 10.721 ± 0.003 Å
• α: 90°
• β: 99.771 ± 0.007°
• γ: 90°
• Cell volume: 1312.2 ± 0.7 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: 0.0806
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1432
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No