Information card for entry 2215742

Structure parameters

• Common name: 3-(2-fluoroanilino)phthalide
• Chemical name: 3-(2-Fluoroanilino)isobenzofuran-1(3<i>H</i>)-one
• Formula: C14 H10 F N O2
• Calculated formula: C14 H10 F N O2
• SMILES: C1(=O)c2ccccc2C(Nc2c(cccc2)F)O1
• Title of publication: 3-(2-Fluoroanilino)isobenzofuran-1(3<i>H</i>)-one
• Authors of publication: Odabaşoğlu, Mustafa; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4401 - o4401
• a: 7.0942 ± 0.0018 Å
• b: 7.984 ± 0.002 Å
• c: 10.092 ± 0.004 Å
• α: 88.92 ± 0.03°
• β: 84.84 ± 0.03°
• γ: 74.93 ± 0.02°
• Cell volume: 549.7 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes