Information card for entry 2217943

Structure parameters

• Common name: 3-(2-chlorophenylamino)phthalide
• Chemical name: 3-(2-chloroanilino)isobenzofuran-1(3<i>H</i>)-one
• Formula: C14 H10 Cl N O2
• Calculated formula: C14 H10 Cl N O2
• SMILES: Clc1c(NC2OC(=O)c3ccccc23)cccc1
• Title of publication: 3-(2-Chloroanilino)isobenzofuran-1(3<i>H</i>)-one
• Authors of publication: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o754
• a: 9.2485 ± 0.0008 Å
• b: 22.7915 ± 0.0013 Å
• c: 7.1111 ± 0.0006 Å
• α: 90°
• β: 123.823 ± 0.006°
• γ: 90°
• Cell volume: 1245.25 ± 0.19 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0673
• 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