Information card for entry 1546552

Structure parameters

• Chemical name: 3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one
• Formula: C20 H19 N3 O3 S
• Calculated formula: C20 H19 N3 O3 S
• SMILES: S=C1N(C(=O)C(N1)(c1ccccc1)c1ccccc1)CCN1C(=O)OCC1
• Title of publication: 3-[2-(5-Oxo-4,4-diphenyl-2-sulfanylideneimidazolidin-1-yl)ethyl]-1,3-oxazolidin-2-one
• Authors of publication: Ramli, Youssef; Guerrab, Walid; Moussaif, Ahmed; Taoufik, Jamal; Essassi, El Mokhtar; Mague, Joel T.
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 7
• Pages of publication: x171041
• a: 9.1211 ± 0.0006 Å
• b: 14.6521 ± 0.0009 Å
• c: 14.2448 ± 0.0009 Å
• α: 90°
• β: 104.037 ± 0.001°
• γ: 90°
• Cell volume: 1846.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes