Information card for entry 2237476

Structure parameters

• Chemical name: Ethyl 2,6-bis(4-chlorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
• Formula: C34 H32 Cl2 N2 O2
• Calculated formula: C34 H32 Cl2 N2 O2
• SMILES: Clc1ccc([C@H]2N([C@@H](CC(=C2C(=O)OCC)Nc2ccc(cc2)C)c2ccc(Cl)cc2)c2ccc(cc2)C)cc1.Clc1ccc([C@@H]2N([C@H](CC(=C2C(=O)OCC)Nc2ccc(cc2)C)c2ccc(Cl)cc2)c2ccc(cc2)C)cc1
• Title of publication: Ethyl 2,6-bis(4-chlorophenyl)-4-(4-methylanilino)-1-(4-methylphenyl)-1,2,5,6-tetrahydropyridine-3-carboxylate
• Authors of publication: Anthal, Sumati; Brahmachari, Goutam; Das, Suvankar; Kant, Rajni; Gupta, Vivek K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o454 - o455
• a: 10.0851 ± 0.0006 Å
• b: 12.434 ± 0.0008 Å
• c: 14.2414 ± 0.001 Å
• α: 113.405 ± 0.006°
• β: 102.233 ± 0.005°
• γ: 101.194 ± 0.005°
• Cell volume: 1522.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1481
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes