Information card for entry 2022152

Structure parameters

• Chemical name: 3-[2-(Benzo[<i>d</i>][1,3]dioxol-5-yl)-2-oxoethyl]-1-benzyl-3-hydroxyindolin-2-one
• Formula: C24 H19 N O5
• Calculated formula: C24 H19 N O5
• SMILES: N1(C(=O)C(O)(c2ccccc12)CC(=O)c1cc2OCOc2cc1)Cc1ccccc1
• Title of publication: Synthesis of <i>N</i>-substituted 3-(2-aryl-2-oxoethyl)-3-hydroxyindolin-2-ones and their conversion to <i>N</i>-substituted (<i>E</i>)-3-(2-aryl-2-oxoethylidene)indolin-2-ones: synthetic sequence, spectroscopic characterization and structures of four 3-hydroxy compounds and five oxoethylidene products
• Authors of publication: Becerra, Diana; Castillo, Juan; Insuasty, Braulio; Cobo, Justo; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• Pages of publication: 433 - 445
• a: 11.8136 ± 0.0007 Å
• b: 12.4987 ± 0.001 Å
• c: 13.5976 ± 0.0011 Å
• α: 93.084 ± 0.003°
• β: 101.883 ± 0.002°
• γ: 95.055 ± 0.002°
• Cell volume: 1951.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes