Information card for entry 2235676

Structure parameters

• Chemical name: Methyl 2-{<i>N</i>-[2-(2,4-dichlorophenoxy)acetyl]- 4-[(4,6-dimethoxypyrimidin-2-yl)oxy]anilino}propanoate
• Formula: C24 H23 Cl2 N3 O7
• Calculated formula: C24 H23 Cl2 N3 O7
• SMILES: c1(cc(nc(n1)Oc1ccc(cc1)N(C(=O)COc1c(cc(cc1)Cl)Cl)C(C)C(=O)OC)OC)OC
• Title of publication: Methyl 2-{<i>N</i>-[2-(2,4-dichlorophenoxy)acetyl]-4-[(4,6-dimethoxypyrimidin-2-yl)oxy]anilino}propanoate
• Authors of publication: Ning, Lihong; Peng, Hao; He, Hongwu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2046
• a: 8.2438 ± 0.0009 Å
• b: 11.2405 ± 0.0012 Å
• c: 14.2502 ± 0.0015 Å
• α: 85.178 ± 0.002°
• β: 78.702 ± 0.002°
• γ: 80.032 ± 0.002°
• Cell volume: 1273.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0742
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes