Information card for entry 2232959

Structure parameters

• Chemical name: 2-Hydroxy-2-methyl-1-phenylindolin-3-one
• Formula: C15 H13 N O2
• Calculated formula: C15 H13 N O2
• SMILES: O=C1c2c(N(C1(O)C)c1ccccc1)cccc2
• Title of publication: 2-Hydroxy-2-methyl-1-phenylindolin-3-one
• Authors of publication: Pevec, Andrej; Kafka, Stanislav; Košmrlj, Janez
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3228 - o3229
• a: 17.0146 ± 0.0004 Å
• b: 9.2193 ± 0.0002 Å
• c: 15.3843 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2413.22 ± 0.1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes