Information card for entry 2022153

Structure parameters

• Chemical name: (<i>E</i>)-1-Benzyl-3-[2-(4-fluorophenyl)-2-oxoethylidene]indolin-2-one
• Formula: C23 H16 F N O2
• Calculated formula: C23 H16 F N O2
• SMILES: N1(C(=O)C(=C\C(=O)c2ccc(F)cc2)\c2ccccc12)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: 7.6021 ± 0.0006 Å
• b: 20.488 ± 0.0013 Å
• c: 10.9319 ± 0.0007 Å
• α: 90°
• β: 96.986 ± 0.003°
• γ: 90°
• Cell volume: 1690 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0875
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes