Information card for entry 2218751

Structure parameters

• Common name: Triflumuron
• Chemical name: 1-(2-Chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]urea
• Formula: C15 H10 Cl F3 N2 O3
• Calculated formula: C15 H10 Cl F3 N2 O3
• SMILES: O=C(NC(=O)c1ccccc1Cl)Nc1ccc(cc1)OC(F)(F)F
• Title of publication: 1-(2-Chlorobenzoyl)-3-[4-(trifluoromethoxy)phenyl]urea
• Authors of publication: Liu, Yin-hong; Li, Fang-shi; Yin, Li-he; Yu, Da-sheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1218
• a: 17.293 ± 0.004 Å
• b: 8.287 ± 0.0017 Å
• c: 11.073 ± 0.002 Å
• α: 90°
• β: 101.74 ± 0.03°
• γ: 90°
• Cell volume: 1553.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1065
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.1711
• Weighted residual factors for all reflections included in the refinement: 0.1859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes