Information card for entry 2206233

Structure parameters

• Chemical name: (Z)-4-(4-Methoxybenzylidene)-2-methylsulfanyl-3-phenethyl-1H-imidazol-5(4H)-one
• Formula: C20 H20 N2 O2 S
• Calculated formula: C20 H20 N2 O2 S
• SMILES: S(C1=NC(=C/c2ccc(OC)cc2)\C(=O)N1CCc1ccccc1)C
• Title of publication: (<i>Z</i>)-4-(4-Methoxybenzylidene)-2-methylsulfanyl-3-phenethyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Authors of publication: Ping Wang; Xiao-He Chu; Wei-Ke Su
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2200 - o2201
• a: 9.7833 ± 0.001 Å
• b: 9.9027 ± 0.001 Å
• c: 10.2853 ± 0.0011 Å
• α: 101.957 ± 0.002°
• β: 104.951 ± 0.002°
• γ: 101.511 ± 0.002°
• Cell volume: 907.46 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0817
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.287
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes