Information card for entry 2208993

Structure parameters

• Common name: 3-(p-methoxyanilino)phthalide
• Chemical name: 3-(4-Methoxyanilino)isobenzofuran-1(3H)-one
• Formula: C15 H13 N O3
• Calculated formula: C15 H13 N O3
• SMILES: C1(=O)c2ccccc2C(Nc2ccc(cc2)OC)O1
• Title of publication: 3-(4-Methoxyanilino)isobenzofuran-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: 5
• Pages of publication: o1882 - o1883
• a: 10.5814 ± 0.0008 Å
• b: 8.1613 ± 0.0004 Å
• c: 15.2896 ± 0.0011 Å
• α: 90°
• β: 111.656 ± 0.005°
• γ: 90°
• Cell volume: 1227.18 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0452
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes