Information card for entry 1568659

Structure parameters

• Chemical name: 3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one
• Formula: C17 H16 N2 O S
• Calculated formula: C17 H16 N2 O S
• SMILES: S(C1=NC(C(=O)N1C)(c1ccccc1)c1ccccc1)C
• Title of publication: 3-Methyl-2-(methylsulfanyl)-5,5-diphenyl-3,5-dihydro-4<i>H</i>-imidazol-4-one
• Authors of publication: El Moutaouakil Ala Allah, Abderrazzak; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef
• Journal of publication: IUCrData
• Year of publication: 2023
• Journal volume: 8
• Journal issue: 3
• Pages of publication: x230208
• a: 8.4129 ± 0.0001 Å
• b: 22.9217 ± 0.0004 Å
• c: 8.6719 ± 0.0001 Å
• α: 90°
• β: 117.417 ± 0.001°
• γ: 90°
• Cell volume: 1484.44 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No