Information card for entry 2226610

Structure parameters

• Chemical name: <i>N</i>-(3,4-Difluorophenyl)phthalimide
• Formula: C14 H7 F2 N O2
• Calculated formula: C14 H7 F2 N O2
• SMILES: Fc1cc(N2C(=O)c3ccccc3C2=O)ccc1F
• Title of publication: <i>N</i>-(3,4-Difluorophenyl)phthalimide
• Authors of publication: Fu, Xian-Shu; Yu, Xiao-Ping; Wang, Wei-Min; Lin, Fang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1809
• a: 15.101 ± 0.003 Å
• b: 5.8093 ± 0.0012 Å
• c: 24.866 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2181.4 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes