Information card for entry 1543473

Structure parameters

• Chemical name: 1-Benzyl-5-chloroindoline-2,3-dione
• Formula: C15 H10 Cl N O2
• Calculated formula: C15 H10 Cl N O2
• SMILES: Clc1cc2c(N(Cc3ccccc3)C(=O)C2=O)cc1
• Title of publication: 1-Benzyl-5-chloroindoline-2,3-dione
• Authors of publication: Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Frédéric; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160854
• a: 4.4576 ± 0.0002 Å
• b: 27.6646 ± 0.0011 Å
• c: 20.953 ± 0.0008 Å
• α: 90°
• β: 93.87 ± 0.002°
• γ: 90°
• Cell volume: 2577.98 ± 0.18 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0738
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1175
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes