Information card for entry 2219363

Structure parameters

• Chemical name: <i>N</i>-{[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]aminocarbonyl}- 2,6-difluorobenzamide
• Formula: C17 H8 Cl2 F8 N2 O3
• Calculated formula: C17 H8 Cl2 F8 N2 O3
• SMILES: Clc1cc(NC(=O)NC(=O)c2c(F)cccc2F)c(Cl)cc1OC(F)(F)C(F)C(F)(F)F
• Title of publication: <i>N</i>-{[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]aminocarbonyl}-2,6-difluorobenzamide
• Authors of publication: Liu, Yin-hong; Li, Fang-shi; Li, Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1756
• a: 9.23 ± 0.0018 Å
• b: 16.404 ± 0.003 Å
• c: 14.074 ± 0.003 Å
• α: 90°
• β: 108.77 ± 0.03°
• γ: 90°
• Cell volume: 2017.6 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• 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: 0.152
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.2068
• Weighted residual factors for all reflections included in the refinement: 0.2475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes