Information card for entry 2236783

Structure parameters

• Chemical name: Ethyl (<i>Z</i>)-3-(4-methylanilino)-2-[(4-methylphenyl)carbamoyl]prop-2-enoate
• Formula: C20 H22 N2 O3
• Calculated formula: C20 H22 N2 O3
• SMILES: O=C(Nc1ccc(C)cc1)/C(=C\Nc1ccc(C)cc1)C(=O)OCC
• Title of publication: Ethyl (<i>Z</i>)-3-(4-methylanilino)-2-[(4-methylphenyl)carbamoyl]prop-2-enoate
• Authors of publication: Islor, Arun M.; Garudachari, B.; Gerber, Thomas; Hosten, Eric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3218
• a: 18.817 ± 0.0004 Å
• b: 11.9752 ± 0.0003 Å
• c: 15.6043 ± 0.0004 Å
• α: 90°
• β: 91.47 ± 0.001°
• γ: 90°
• Cell volume: 3515.07 ± 0.15 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0677
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes