Information card for entry 2227744

Structure parameters

• Chemical name: 3,3-Dichloro-1-(chloromethyl)indolin-2-one
• Formula: C9 H6 Cl3 N O
• Calculated formula: C9 H6 Cl3 N O
• SMILES: C(Cl)N1c2ccccc2C(Cl)(Cl)C1=O
• Title of publication: 3,3-Dichloro-1-(chloromethyl)indolin-2-one
• Authors of publication: Wang, Yao; Wan, Chong-Qing; Zheng, Tingting; Cao, Sheng-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2858
• a: 8.6102 ± 0.0001 Å
• b: 14.5573 ± 0.0002 Å
• c: 8.2461 ± 0.0001 Å
• α: 90°
• β: 93.381 ± 0.001°
• γ: 90°
• Cell volume: 1031.78 ± 0.02 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0396
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes