Information card for entry 2229222

Structure parameters

• Chemical name: 1,1'-[4-(2,4-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5- diyl]diethanone
• Formula: C17 H17 Cl2 N O2
• Calculated formula: C17 H17 Cl2 N O2
• SMILES: C1(=C(C(C(=C(C)N1)C(=O)C)c1c(cc(cc1)Cl)Cl)C(=O)C)C
• Title of publication: 1,1'-[4-(2,4-Dichlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-diyl]diethanone
• Authors of publication: Sundar, J. Kalyana; Reddy, B. Palakshi; Vijayakumar, V.; Natarajan, S.; Suresh, J.; Lakshman, P. L. Nilantha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 2
• Pages of publication: o380 - o381
• a: 10.307 ± 0.004 Å
• b: 13.745 ± 0.003 Å
• c: 11.312 ± 0.002 Å
• α: 90°
• β: 93.8 ± 0.02°
• γ: 90°
• Cell volume: 1599 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.0957
• 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