Information card for entry 2012384

Structure parameters

• Chemical name: 3-[Benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1H-indol-2-one
• Formula: C25 H19 N O4
• Calculated formula: C25 H19 N O4
• SMILES: O=C(N1c2ccccc2/C(=C(\c2ccc(OC)cc2)C(=O)c2ccccc2)C1=O)C
• Title of publication: 1-Acetyl-3-[benzoyl(4-methoxyphenyl)methylene]-2,3-dihydro-1<i>H</i>-indol-2-one
• Authors of publication: Anwar Usman; Ibrahim Abdul Razak; Hoong-Kun Fun; Suchada Chantrapromma; Yan Zhang; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 12
• Pages of publication: 1438 - 1440
• a: 8.0395 ± 0.0003 Å
• b: 16.7881 ± 0.0005 Å
• c: 14.8438 ± 0.0005 Å
• α: 90°
• β: 96.954 ± 0.001°
• γ: 90°
• Cell volume: 1988.7 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1123
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes