Information card for entry 2235385

Structure parameters

• Common name: isatin
• Chemical name: 1-Benzyl-3-[(4-methylphenyl)imino]indolin-2-one
• Formula: C22 H18 N2 O
• Calculated formula: C22 H18 N2 O
• SMILES: O=C1N(c2ccccc2/C1=N\c1ccc(cc1)C)Cc1ccccc1
• Title of publication: 1-Benzyl-3-[(4-methylphenyl)imino]indolin-2-one
• Authors of publication: Ikotun, Adebomi A.; Adelani, Pius O.; Egharevba, Gabriel O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2098
• a: 10.174 ± 0.002 Å
• b: 15.086 ± 0.004 Å
• c: 11.714 ± 0.003 Å
• α: 90°
• β: 113.596 ± 0.003°
• γ: 90°
• Cell volume: 1647.6 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0727
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes