Information card for entry 2224630

Structure parameters

• Common name: 7-chloroindoline-2,3-dione
• Chemical name: 7-chloroindoline-2,3-dione
• Formula: C8 H4 Cl N O2
• Calculated formula: C8 H4 Cl N O2
• SMILES: O=C1Nc2c(C1=O)cccc2Cl
• Title of publication: 7-Chloroindoline-2,3-dione
• Authors of publication: Sun, Jie; Cai, Zai-Sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o25
• a: 7.245 ± 0.0014 Å
• b: 8.608 ± 0.0017 Å
• c: 12.47 ± 0.003 Å
• α: 86.95 ± 0.03°
• β: 78.02 ± 0.03°
• γ: 84.89 ± 0.03°
• Cell volume: 757.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0736
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes