Information card for entry 2008340

Structure parameters

• Common name: N-phenylethyl-N-methylimidazolidinetrione
• Formula: C12 H12 N2 O3
• Calculated formula: C12 H12 N2 O3
• SMILES: CN1C(=O)C(=O)N(C1=O)CCc1ccccc1
• Title of publication: <i>N</i>-Propylimidazolidinetrione and <i>N</i>-methyl-<i>N</i>'-phenylethylimidazolidinetrione
• Authors of publication: Yoshihara, Ryouko; Hosomi, Hiroyuki; Aoyama, Hiromu; Ohba, Shigeru
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 4
• Pages of publication: 594 - 596
• a: 49.87 ± 0.02 Å
• b: 5.406 ± 0.003 Å
• c: 8.471 ± 0.003 Å
• α: 90°
• β: 88.66 ± 0.03°
• γ: 90°
• Cell volume: 2283.1 ± 1.8 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.174
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes