Information card for entry 2206586

Structure parameters

• Chemical name: N,N'-Bis(2-chlorophenyl)-4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine- 3,5-dicarboxamide
• Formula: C27 H22 Cl3 N3 O2
• Calculated formula: C27 H22 Cl3 N3 O2
• SMILES: Clc1c(NC(=O)C2=C(NC(=C(C2c2ccc(Cl)cc2)C(=O)Nc2ccccc2Cl)C)C)cccc1
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2-chlorophenyl)-4-(4-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
• Authors of publication: Mahendra, M; Doreswamy, B. H.; Sridhar, M. A.; Shashidhara Prasad, J.; Kinnari, D.; Dinesh, M.; Anamik, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2567 - o2569
• a: 20.566 ± 0.002 Å
• b: 10.698 ± 0.001 Å
• c: 22.789 ± 0.002 Å
• α: 90°
• β: 104.3 ± 0.002°
• γ: 90°
• Cell volume: 4858.6 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes