Information card for entry 2218627

Structure parameters

• Common name: Fluometuron
• Chemical name: <i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[3-(trifluoromethyl)phenyl]urea
• Formula: C10 H11 F3 N2 O
• Calculated formula: C10 H11 F3 N2 O
• SMILES: O=C(N(C)C)Nc1cccc(c1)C(F)(F)F
• Title of publication: <i>N</i>,<i>N</i>-Dimethyl-<i>N</i>'-[3-(trifluoromethyl)phenyl]urea
• Authors of publication: Yu, Da-sheng; Li, Fang-shi; Yao, Wei; Liu, Yin-hong; Lu, Chui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1220
• a: 11.005 ± 0.002 Å
• b: 9.991 ± 0.002 Å
• c: 10.012 ± 0.002 Å
• α: 90°
• β: 96.89 ± 0.03°
• γ: 90°
• Cell volume: 1092.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1369
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes