Information card for entry 2217942

Structure parameters

• Common name: 3-(2,4-dichlorophenylamino)phthalide
• Chemical name: 3-(2,4-dichloroanilino)isobenzofuran-1(3<i>H</i>)-one
• Formula: C14 H9 Cl2 N O2
• Calculated formula: C14 H9 Cl2 N O2
• SMILES: Clc1c(NC2OC(=O)c3ccccc23)ccc(Cl)c1
• Title of publication: 3-(2,4-Dichloroanilino)isobenzofuran-1(3<i>H</i>)-one
• Authors of publication: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o755
• a: 7.7647 ± 0.0004 Å
• b: 23.9293 ± 0.0012 Å
• c: 7.3261 ± 0.0004 Å
• α: 90°
• β: 102.768 ± 0.005°
• γ: 90°
• Cell volume: 1327.56 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0658
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1053
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes