Information card for entry 2218231

Structure parameters

• Chemical name: 5,6-Dichloro-2-(3-methoxyphenyl)isoindoline-1,3-dione
• Formula: C15 H9 Cl2 N O3
• Calculated formula: C15 H9 Cl2 N O3
• SMILES: C1(=O)c2cc(c(cc2C(=O)N1c1cccc(c1)OC)Cl)Cl
• Title of publication: 5,6-Dichloro-2-(3-methoxyphenyl)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: o881
• a: 6.8689 ± 0.0005 Å
• b: 9.7362 ± 0.001 Å
• c: 20.4271 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1366.1 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes