Information card for entry 2214234

Structure parameters

• Chemical name: 2-(4,5,6,7-Tetrachloro-1,3-dioxoisoindolin-2-yl)benzoic acid N,N-dimethylformamide solvate
• Formula: C18 H12 Cl4 N2 O5
• Calculated formula: C18 H12 Cl4 N2 O5
• SMILES: C1(=O)c2c(c(c(c(c2C(=O)N1c1ccccc1C(=O)O)Cl)Cl)Cl)Cl.CN(C)C=O
• Title of publication: 2-(4,5,6,7-Tetrachloro-1,3-dioxoisoindolin-2-yl)benzoic acid <i>N</i>,<i>N</i>-dimethylformamide solvate
• Authors of publication: Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3332 - o3332
• a: 16.593 ± 0.004 Å
• b: 13.816 ± 0.003 Å
• c: 8.815 ± 0.002 Å
• α: 90°
• β: 98.224 ± 0.003°
• γ: 90°
• Cell volume: 2000 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0793
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes