Information card for entry 2233757

Structure parameters

• Chemical name: 1-Acetyl-4-(phenylsulfanyl)imidazolidin-2-one
• Formula: C11 H12 N2 O2 S
• Calculated formula: C11 H12 N2 O2 S
• SMILES: S(C1NC(=O)N(C(=O)C)C1)c1ccccc1
• Title of publication: 1-Acetyl-4-(phenylsulfanyl)imidazolidin-2-one
• Authors of publication: Abdel-Aziz, Alaa A.-M.; El-Azab, Adel S.; Alanazi, Amer M.; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o908
• a: 7.0473 ± 0.0001 Å
• b: 14.3274 ± 0.0003 Å
• c: 10.7796 ± 0.0002 Å
• α: 90°
• β: 96.921 ± 0.002°
• γ: 90°
• Cell volume: 1080.48 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0284
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes