Information card for entry 2209323

Structure parameters

• Common name: 3-(4-ethoxyanilino)phthalide
• Chemical name: 3-(4-ethoxyanilino)isobenzofuran-1(3H)-one
• Formula: C16 H15 N O3
• Calculated formula: C16 H15 N O3
• SMILES: C1(=O)c2ccccc2C(Nc2ccc(cc2)OCC)O1
• Title of publication: 3-(4-Ethoxyanilino)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: 6
• Pages of publication: o2558 - o2559
• a: 8.6851 ± 0.0011 Å
• b: 28.485 ± 0.003 Å
• c: 5.4644 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1351.9 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes