Information card for entry 2311628

Structure parameters

• Chemical name: Ethyl 4-anilino-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1<i>H</i>-pyrrole-2-carboxylate
• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• SMILES: O(CC)C(=O)C1(N(C(=O)C(=C1)Nc1ccccc1)c1ccccc1)C
• Title of publication: Ethyl 4-anilino-2-methyl-5-oxo-1-phenyl-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: o1757 - 8
• a: 5.9071 ± 0.0006 Å
• b: 11.3474 ± 0.0012 Å
• c: 14.1716 ± 0.0014 Å
• α: 111.467 ± 0.002°
• β: 101.113 ± 0.003°
• γ: 95.328 ± 0.003°
• Cell volume: 853.45 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No