Information card for entry 1543233

Structure parameters

• Chemical name: 6-Chloro-1<i>H</i>-indole-2,3-dione
• Formula: C8 H4 Cl N O2
• Calculated formula: C8 H4 Cl N O2
• SMILES: Clc1ccc2C(=O)C(=O)Nc2c1
• Title of publication: 6-Chloro-1<i>H</i>-indole-2,3-dione
• Authors of publication: Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 4
• Pages of publication: x160690
• a: 5.6231 ± 0.0006 Å
• b: 4.993 ± 0.0006 Å
• c: 12.5145 ± 0.0014 Å
• α: 90°
• β: 91.916 ± 0.007°
• γ: 90°
• Cell volume: 351.16 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes