Information card for entry 2311205

Structure parameters

• Chemical name: Ethyl 4-(4-chloroanilino)-1-(4-chlorophenyl)-2-methyl-5-oxo-2,5-dihydro-1<i>H</i>-pyrrole-2-carboxylate
• Formula: C20 H18 Cl2 N2 O3
• Calculated formula: C20 H18 Cl2 N2 O3
• SMILES: Clc1ccc(N2C(C(=O)OCC)(C=C(Nc3ccc(Cl)cc3)C2=O)C)cc1
• Title of publication: Ethyl 4-(4-chloro-anilino)-1-(4-chloro-phen-yl)-2-methyl-5-oxo-2,5-di-hydro-1H-pyrrole-2-carboxyl-ate.
• Authors of publication: Akkurt, Mehmet; Mohamed, Shaaban K.; Elremaily, Mahmoud A. A.; Santoyo-Gonzalez, Francisco; Albayati, Mustafa R.
• Journal of publication: Acta crystallographica. Section E, Structure reports online
• Year of publication: 2013
• Journal volume: 69
• Journal issue: Pt 12
• Pages of publication: o1761 - 2
• a: 5.8319 ± 0.0003 Å
• b: 12.3759 ± 0.0006 Å
• c: 13.5707 ± 0.0006 Å
• α: 86.484 ± 0.002°
• β: 80.098 ± 0.002°
• γ: 78.671 ± 0.002°
• Cell volume: 945.69 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0689
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No