Information card for entry 7155278

Structure parameters

• Chemical name: 3-benzyl-3-hydroxyindolin-2-one
• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: OC1(C(=O)Nc2c1cccc2)Cc1ccccc1
• 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: 9.6173 ± 0.0005 Å
• b: 9.7573 ± 0.0005 Å
• c: 12.8363 ± 0.0007 Å
• α: 90°
• β: 100.175 ± 0.002°
• γ: 90°
• Cell volume: 1185.6 ± 0.11 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: 0.0384
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.659
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No