Information card for entry 2211703

Structure parameters

• Common name: 3-(4-iodoanilino)phthalide
• Chemical name: 3-(4-Iodoanilino)isobenzofuran-1(3H)-one
• Formula: C14 H10 I N O2
• Calculated formula: C14 H10 I N O2
• SMILES: C1(=O)c2ccccc2C(Nc2ccc(cc2)I)O1
• Title of publication: 3-(4-Iodoanilino)isobenzofuran-1(3<i>H</i>)-one
• Authors of publication: Büyükgüngör, Orhan; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o25 - o27
• a: 24.017 ± 0.003 Å
• b: 6.9536 ± 0.0006 Å
• c: 26.924 ± 0.005 Å
• α: 90°
• β: 120.207 ± 0.011°
• γ: 90°
• Cell volume: 3885.9 ± 1 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: 0.1551
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.2446
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes