Information card for entry 8106810

Structure parameters

• Common name: 2-(4-Acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione
• Chemical name: 2-(4-Acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione
• Formula: C18 H13 Cl2 N O3
• Calculated formula: C18 H13 Cl2 N O3
• Title of publication: Crystal structure of 2-(4-acetyl-2,6-dimethyl-phenyl)-5,6-dichloro-isoindole-1,3-dione, C18H13Cl2NO3
• Authors of publication: Li, Feng-Cui; Shi, Qi-Lin; Zhou, Xiao-Hu; Ren, Yang; Xu, Hai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 149 - 151
• a: 13.6464 ± 0.0002 Å
• b: 18.1592 ± 0.0003 Å
• c: 13.9829 ± 0.0002 Å
• α: 90°
• β: 107.557 ± 0.001°
• γ: 90°
• Cell volume: 3303.66 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No