Information card for entry 2218061

Structure parameters

• Chemical name: 5,6-Dichloro-2-(2-fluorophenyl)isoindoline-1,3-dione
• Formula: C14 H6 Cl2 F N O2
• Calculated formula: C14 H6 Cl2 F N O2
• SMILES: Fc1ccccc1N1C(=O)c2c(C1=O)cc(c(c2)Cl)Cl
• Title of publication: 5,6-Dichloro-2-(2-fluorophenyl)isoindoline-1,3-dione
• Authors of publication: Büyükgüngör, Orhan; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: o882
• a: 8.0078 ± 0.0003 Å
• b: 27.357 ± 0.0009 Å
• c: 11.5563 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2531.63 ± 0.17 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes