Information card for entry 2223732

Structure parameters

• Chemical name: 1,1'-[4-(2-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone
• Formula: C18 H21 N O3
• Calculated formula: C18 H21 N O3
• SMILES: C1(=C(C(C(=C(C)N1)C(=O)C)c1ccccc1OC)C(=O)C)C
• Title of publication: 1,1'-[4-(2-Methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone
• Authors of publication: Reddy, B. Palakshi; Vijayakumar, V.; Suresh, J.; Narasimhamurthy, T.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2877
• a: 26.5512 ± 0.0006 Å
• b: 7.5077 ± 0.0001 Å
• c: 17.0818 ± 0.0003 Å
• α: 90°
• β: 114.904 ± 0.001°
• γ: 90°
• Cell volume: 3088.44 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes