Information card for entry 2227572

Structure parameters

• Chemical name: 5-Chloroindoline-2,3-dione
• Formula: C8 H4 Cl N O2
• Calculated formula: C8 H4 Cl N O2
• SMILES: Clc1cc2C(=O)C(=O)Nc2cc1
• Title of publication: 5-Chloroindoline-2,3-dione
• Authors of publication: Wei, Wen-Bin; Tian, Shuo; Zhou, Hao; Sun, Jie; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3024
• a: 24.706 ± 0.005 Å
• b: 5.689 ± 0.0011 Å
• c: 5.209 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 732.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes