Information card for entry 2227814

Structure parameters

• Common name: Flutolanil
• Chemical name: <i>N</i>-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide
• Formula: C17 H16 F3 N O2
• Calculated formula: C17 H16 F3 N O2
• SMILES: CC(Oc1cccc(c1)NC(=O)c1ccccc1C(F)(F)F)C
• Title of publication: Flutolanil [<i>N</i>-(3-isopropoxyphenyl)-2-(trifluoromethyl)benzamide]
• Authors of publication: Kim, Hyunjee; Yang, Hojin; Kim, Jae Sang; Moon, Suk-Hee; Kim, Tae Ho
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2471
• a: 9.3264 ± 0.0003 Å
• b: 11.9326 ± 0.0003 Å
• c: 15.2208 ± 0.0003 Å
• α: 71.125 ± 0.002°
• β: 87.493 ± 0.002°
• γ: 79.495 ± 0.002°
• Cell volume: 1575.73 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0563
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes