Information card for entry 1549702

Structure parameters

• Common name: 5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate
• Chemical name: 5,5-Diphenyl-2-sulfanylideneimidazolidin-4-one dimethyl sulfoxide monosolvate
• Formula: C17 H18 N2 O2 S2
• Calculated formula: C17 H18 N2 O2 S2
• SMILES: N1C(=S)NC(=O)C1(c1ccccc1)c1ccccc1.S(=O)(C)C
• Title of publication: 5,5-Diphenyl-2-thioxoimidazolidin-4-one dimethyl sulfoxide monosolvate
• Authors of publication: Aziz, Hamid; Saeed, Aamer; Simpson, Jim
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 7
• Pages of publication: x181010
• a: 7.3167 ± 0.0002 Å
• b: 15.5894 ± 0.0004 Å
• c: 15.5627 ± 0.0003 Å
• α: 90°
• β: 101.82 ± 0.002°
• γ: 90°
• Cell volume: 1737.49 ± 0.07 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: 0.0435
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes