Information card for entry 2238852

Structure parameters

• Chemical name: 2,2,2-Trifluoro-<i>N</i>-(2-iodophenyl)acetamide
• Formula: C8 H5 F3 I N O
• Calculated formula: C8 H5 F3 I N O
• SMILES: O=C(C(F)(F)F)Nc1ccccc1I
• Title of publication: 2,2,2-Trifluoro-<i>N</i>-(2-iodophenyl)acetamide
• Authors of publication: Ruchun, Yang; Hui, Zhang; BanPeng, Cao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1749
• a: 15.8871 ± 0.0001 Å
• b: 15.8871 ± 0.0001 Å
• c: 15.93 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4020.73 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0788
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No