Information card for entry 2208995

Structure parameters

• Chemical name: 4-Benzylidene-2-diethylamino-1-phenyl-1H-imidazol-5(4H)-one
• Formula: C20 H21 N3 O
• Calculated formula: C20 H21 N3 O
• SMILES: CCN(C1=N/C(=C\c2ccccc2)C(=O)N1c1ccccc1)CC
• Title of publication: 4-Benzylidene-2-diethylamino-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Authors of publication: Gui-Hua Li; Yang-Gen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1691 - o1693
• a: 18.8275 ± 0.001 Å
• b: 8.9784 ± 0.0005 Å
• c: 20.9951 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3549 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes