Information card for entry 1543423

Structure parameters

• Chemical name: 5-Chloro-1-methylindoline-2,3-dione
• Formula: C9 H6 Cl N O2
• Calculated formula: C9 H6 Cl N O2
• SMILES: Clc1ccc2N(C(=O)C(=O)c2c1)C
• Title of publication: 5-Chloro-1-methylindoline-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: x160913
• a: 3.9766 ± 0.0004 Å
• b: 11.9503 ± 0.0013 Å
• c: 17.947 ± 0.002 Å
• α: 90°
• β: 96.163 ± 0.003°
• γ: 90°
• Cell volume: 847.94 ± 0.16 ų
• Cell temperature: 299.69 K
• Ambient diffraction temperature: 299.69 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: 0.0538
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes