Information card for entry 2226611

Structure parameters

• Chemical name: <i>N</i>-(2,3,4-Trifluorophenyl)phthalimide
• Formula: C14 H6 F3 N O2
• Calculated formula: C14 H6 F3 N O2
• SMILES: Fc1ccc(N2C(=O)c3ccccc3C2=O)c(F)c1F
• Title of publication: <i>N</i>-(2,3,4-Trifluorophenyl)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: o1859
• a: 6.8422 ± 0.0014 Å
• b: 21.082 ± 0.004 Å
• c: 7.9727 ± 0.0016 Å
• α: 90°
• β: 101.98 ± 0.03°
• γ: 90°
• Cell volume: 1125 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes