Information card for entry 2209479

Structure parameters

• Common name: 3-anilinophthalide
• Chemical name: 3-anilinoisobenzofuran-1(3H)-one
• Formula: C14 H11 N O2
• Calculated formula: C14 H11 N O2
• SMILES: C1(=O)c2ccccc2C(Nc2ccccc2)O1
• Title of publication: 3-Anilinoisobenzofuran-1(3<i>H</i>)-one
• Authors of publication: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2943 - o2944
• a: 12.571 ± 0.0014 Å
• b: 7.0258 ± 0.0006 Å
• c: 15.7581 ± 0.0015 Å
• α: 90°
• β: 128.525 ± 0.006°
• γ: 90°
• Cell volume: 1088.8 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• 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: 0.0614
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes