Information card for entry 2022157

Structure parameters

• Chemical name: (<i>E</i>)-1-Benzyl-5-chloro-3-[2-(4-chlorophenyl)-2-oxoethylidene]indolin-2-one
• Formula: C23 H15 Cl2 N O2
• Calculated formula: C23 H15 Cl2 N O2
• SMILES: N1(C(=O)/C(=C/C(=O)c2ccc(Cl)cc2)c2cc(Cl)ccc12)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: 8.201 ± 0.0006 Å
• b: 9.7629 ± 0.0007 Å
• c: 12.174 ± 0.0009 Å
• α: 76.755 ± 0.003°
• β: 87.675 ± 0.003°
• γ: 76.211 ± 0.003°
• Cell volume: 921.34 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes