Information card for entry 2233269

Structure parameters

• Chemical name: 6-Chloro-1-methylindoline-2,3-dione
• Formula: C9 H6 Cl N O2
• Calculated formula: C9 H6 Cl N O2
• SMILES: Clc1cc2N(C(=O)C(=O)c2cc1)C
• Title of publication: 6-Chloro-1-methylindoline-2,3-dione
• Authors of publication: Liu, Hua Quan; Tang, Wei; Wang, De Cai; Ou-yang, Ping Kai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o14
• a: 13.077 ± 0.003 Å
• b: 7.939 ± 0.0016 Å
• c: 16.673 ± 0.003 Å
• α: 90°
• β: 101.95 ± 0.03°
• γ: 90°
• Cell volume: 1693.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes