Information card for entry 2232732

Structure parameters

• Chemical name: 1-Benzyl-6-chloroindoline-2,3-dione
• Formula: C15 H10 Cl N O2
• Calculated formula: C15 H10 Cl N O2
• SMILES: Clc1cc2N(Cc3ccccc3)C(=O)C(=O)c2cc1
• Title of publication: 1-Benzyl-6-chloroindoline-2,3-dione
• Authors of publication: Liu, Hua-quan; Fan, Dong-mei; Wang, De-cai; Ou-yang, Ping-Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3427
• a: 7.187 ± 0.0014 Å
• b: 7.58 ± 0.0015 Å
• c: 12.012 ± 0.002 Å
• α: 80.24 ± 0.03°
• β: 84.9 ± 0.03°
• γ: 79.74 ± 0.03°
• Cell volume: 633.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes