Information card for entry 2213689

Structure parameters

• Chemical name: 1-(2-Chloro-3,5-difluorophenyl)-3-(2,6-dichlorobenzoyl)urea
• Formula: C14 H7 Cl3 F2 N2 O2
• Calculated formula: C14 H7 Cl3 F2 N2 O2
• SMILES: Clc1c(c(Cl)ccc1)C(=O)NC(=O)Nc1cc(F)cc(F)c1Cl
• Title of publication: 1-(2-Chloro-3,5-difluorophenyl)-3-(2,6-dichlorobenzoyl)urea
• Authors of publication: Sheng-Jiao Yan; Yu-Yun Yan; Yan-Mei Li; Ming-Jin Xie; Jun Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2944 - o2944
• a: 11.7027 ± 0.0013 Å
• b: 9.5225 ± 0.0011 Å
• c: 14.7144 ± 0.0016 Å
• α: 90°
• β: 109.16 ± 0.001°
• γ: 90°
• Cell volume: 1548.9 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1902
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes