Information card for entry 2225344

Structure parameters

• Chemical name: 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
• Formula: C18 H17 Cl2 N O4
• Calculated formula: C18 H17 Cl2 N O4
• SMILES: c1(c(cccc1c1c(c(C)nc(c1C(=O)OCC)C)C(=O)OC)Cl)Cl
• Title of publication: 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
• Authors of publication: Luo, Jing; Chen, Hui; Wang, Qiao-Feng; Liu, Hai-Jing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o538
• a: 14.3179 ± 0.0006 Å
• b: 15.5045 ± 0.0007 Å
• c: 16.9664 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3766.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.119
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes