Information card for entry 2216213

Structure parameters

• Chemical name: Ethyl 2-[(Z)-4-isobutyl-5-oxo-2-(phenylimino)imidazolidin-1-yl]acetate
• Formula: C17 H23 N3 O3
• Calculated formula: C17 H23 N3 O3
• SMILES: c1(ccccc1)/N=C1\NC(C(=O)N1CC(=O)OCC)CC(C)C
• Title of publication: Ethyl 2-[(<i>Z</i>)-4-isobutyl-5-oxo-2-(phenylimino)imidazolidin-1-yl]acetate
• Authors of publication: Yong Sun; Hong-Xia Li; Ping He; Gui-hua Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4768 - o4768
• a: 16.059 ± 0.002 Å
• b: 10.631 ± 0.0016 Å
• c: 20.69 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3532.3 ± 0.9 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.1952
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes