Information card for entry 2208872

Structure parameters

• Common name: 3-(p-chloroanilino)phthalide
• Chemical name: 3-(4-chloroanilino)isobenzofuran-1(3H)-one
• Formula: C14 H10 Cl N O2
• Calculated formula: C14 H10 Cl N O2
• SMILES: C1(=O)c2ccccc2C(Nc2ccc(cc2)Cl)O1
• Title of publication: 3-(4-Chloroanilino)isobenzofuran-1(3<i>H</i>)-one
• Authors of publication: Büyükgüngör, Orhan; Odabaşoğlu, Mustafa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2003 - o2004
• a: 12.9256 ± 0.0014 Å
• b: 7.2383 ± 0.001 Å
• c: 15.6115 ± 0.0016 Å
• α: 90°
• β: 122.196 ± 0.007°
• γ: 90°
• Cell volume: 1236 ± 0.3 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: 0.1035
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes