Information card for entry 2233166

Structure parameters

• Chemical name: 1-Benzyl-4-chloroindoline-2,3-dione
• Formula: C15 H10 Cl N O2
• Calculated formula: C15 H10 Cl N O2
• SMILES: Clc1c2c(N(C(=O)C2=O)Cc2ccccc2)ccc1
• Title of publication: 1-Benzyl-4-chloroindoline-2,3-dione
• Authors of publication: Wang, De Cai; Leng, Bo Rong; Wang, Gui Bin; Wei, Ping; Ou-yang, Ping Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o37
• a: 22.864 ± 0.005 Å
• b: 16.6 ± 0.003 Å
• c: 13.335 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5061.2 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.171
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes