Information card for entry 1543482

Structure parameters

• Chemical name: 1-Allyl-5-chloroindoline-2,3-dione
• Formula: C11 H8 Cl N O2
• Calculated formula: C11 H8 Cl N O2
• SMILES: Clc1cc2c(N(C(=O)C2=O)CC=C)cc1
• Title of publication: 1-Allyl-5-chloroindoline-2,3-dione
• Authors of publication: Tribak, Zineb; Kandri Rodi, Youssef; Haoudi, Amal; Essassi, El Mokhtar; Capet, Fréderic; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 6
• Pages of publication: x160862
• a: 31.2222 ± 0.0006 Å
• b: 7.9107 ± 0.0002 Å
• c: 8.3373 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2059.23 ± 0.08 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes