Information card for entry 2210383

Structure parameters

• Common name: 3-(4-acetylanilino)phthalide
• Chemical name: 3-(4-acetylanilino)isobenzofuran-1(3H)-one
• Formula: C16 H13 N O3
• Calculated formula: C16 H13 N O3
• SMILES: C1(=O)c2ccccc2[C@H](Nc2ccc(cc2)C(=O)C)O1
• Title of publication: 3-(4-Acetylanilino)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: 9
• Pages of publication: o4145 - o4147
• a: 4.0243 ± 0.0005 Å
• b: 14.3117 ± 0.0012 Å
• c: 11.1107 ± 0.0012 Å
• α: 90°
• β: 94.002 ± 0.009°
• γ: 90°
• Cell volume: 638.36 ± 0.12 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0713
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes