Information card for entry 2241042

Structure parameters

• Chemical name: Ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propylimidazolidine-5-carboxylate
• Formula: C20 H27 Cl N2 O3
• Calculated formula: C20 H27 Cl N2 O3
• SMILES: Clc1ccc([C@H]2N([C@H](C(=O)OCC)C(=O)N2CCC)C2CCCC2)cc1.Clc1ccc([C@@H]2N([C@@H](C(=O)OCC)C(=O)N2CCC)C2CCCC2)cc1
• Title of publication: Crystal structure of ethyl 2-(4-chlorophenyl)-3-cyclopentyl-4-oxo-1-propylimidazolidine-5-carboxylate
• Authors of publication: Tabarki, Mohamed Ali; Ben Smida, Youssef; Guesmi, Abderrahmen; Besbes, Rafâa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 9
• Pages of publication: o682 - o683
• a: 9.083 ± 0.007 Å
• b: 11.201 ± 0.006 Å
• c: 11.846 ± 0.006 Å
• α: 117.75 ± 0.04°
• β: 90.49 ± 0.05°
• γ: 104.08 ± 0.06°
• Cell volume: 1024.1 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.11
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes