Information card for entry 2224901

Structure parameters

• Chemical name: Diethyl 4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Formula: C19 H21 Cl2 N O4
• Calculated formula: C19 H21 Cl2 N O4
• SMILES: C1(=C(C(C(=C(C)N1)C(=O)OCC)c1c(cc(cc1)Cl)Cl)C(=O)OCC)C
• Title of publication: Diethyl 4-(2,4-dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• Authors of publication: Reddy, P. Palakshi; Vijayakumar, V.; Suresh, J.; Narasimhamurthy, T.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o363
• a: 15.928 ± 0.007 Å
• b: 12.266 ± 0.006 Å
• c: 10.042 ± 0.005 Å
• α: 90°
• β: 103.962 ± 0.007°
• γ: 90°
• Cell volume: 1904 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0868
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes