Information card for entry 2212107

Structure parameters

• Common name: 4,5,6,7-Tetrachloro-2-(2-hydroxyphenyl)-1H-isoindole-1,3(2H)-dione
• Chemical name: 4,5,6,7-Tetrachloro-2-(2-hydroxyphenyl)-1H-isoindole-1,3(2H)-dione
• Formula: C14 H5 Cl4 N O3
• Calculated formula: C14 H5 Cl4 N O3
• SMILES: Clc1c2C(=O)N(C(=O)c2c(Cl)c(Cl)c1Cl)c1c(O)cccc1
• Title of publication: 4,5,6,7-Tetrachloro-2-(2-hydroxyphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione
• Authors of publication: Hoong-Kun Fun; Suchada Chantrapromma; Zhe Li; Yong-Miao Shen; Jian-Hua Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o946 - o947
• a: 12.2779 ± 0.0002 Å
• b: 14.035 ± 0.0002 Å
• c: 19.9624 ± 0.0003 Å
• α: 90°
• β: 124.834 ± 0.001°
• γ: 90°
• Cell volume: 2823.53 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes