Information card for entry 2201374

Structure parameters

• Chemical name: 3-Benzylidene-[N-(2,6-dichlorophenyl)-indolin-2-one]
• Formula: C21 H13 Cl2 N O
• Calculated formula: C21 H13 Cl2 N O
• SMILES: Clc1c(N2C(=O)C(=C/c3ccccc3)/c3ccccc23)c(Cl)ccc1
• Title of publication: 3-Benzylidene-1-(2,6-dichlorophenyl)indolin-2-one
• Authors of publication: Thamotharan, S.; Parthasarathi, V.; Vijayalakshmi, L.; Anuradha, B.; Bhavik Desai; Anamik Shah
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 8
• Pages of publication: o885 - o886
• a: 9.242 ± 0.005 Å
• b: 19.232 ± 0.012 Å
• c: 10.319 ± 0.005 Å
• α: 90°
• β: 105.8 ± 0.04°
• γ: 90°
• Cell volume: 1764.8 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes