Information card for entry 1546704

Structure parameters

• Chemical name: 5,7-Dimethyl-1<i>H</i>-indole-2,3-dione
• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: N1C(=O)C(=O)c2cc(cc(c12)C)C
• Title of publication: 5,7-Dimethyl-1<i>H</i>-indole-2,3-dione
• Authors of publication: Perez, Matthew F.; Desikan, Vasumathi; Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 3
• Pages of publication: x170444
• a: 8.7148 ± 0.0009 Å
• b: 13.5652 ± 0.0017 Å
• c: 14.7832 ± 0.0019 Å
• α: 91.562 ± 0.005°
• β: 96.341 ± 0.004°
• γ: 103.776 ± 0.004°
• Cell volume: 1684.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.1886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes