Information card for entry 2219304

Structure parameters

• Chemical name: Ethyl 4-{2,6-dichloro-4-[3-(2,6-difluorobenzoyl)ureido]phenoxy}butanoate
• Formula: C20 H18 Cl2 F2 N2 O5
• Calculated formula: C20 H18 Cl2 F2 N2 O5
• SMILES: Clc1c(OCCCC(=O)OCC)c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)c1
• Title of publication: Ethyl 4-{2,6-dichloro-4-[3-(2,6-difluorobenzoyl)ureido]phenoxy}butanoate
• Authors of publication: Liu, Yin-Hong; Li, Fang-Shi; Li, Yi; Yu, Da-Sheng; Lu, Chui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1729
• a: 11.262 ± 0.002 Å
• b: 10.463 ± 0.002 Å
• c: 18.613 ± 0.004 Å
• α: 90°
• β: 98.78 ± 0.03°
• γ: 90°
• Cell volume: 2167.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1333
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.2204
• Weighted residual factors for all reflections included in the refinement: 0.2896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes