Information card for entry 2211262

Structure parameters

• Chemical name: 4-(4-Methoxybenzylidene)-2-(4-morpholino)-1-phenyl-1H-imidazol-5(4H)-one
• Formula: C21 H21 N3 O3
• Calculated formula: C21 H21 N3 O3
• SMILES: COc1ccc(cc1)/C=C1/C(=O)N(c2ccccc2)C(=N1)N1CCOCC1
• Title of publication: 4-(4-Methoxybenzylidene)-2-(4-morpholino)-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Authors of publication: Yong Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5684 - o5685
• a: 7.6366 ± 0.0009 Å
• b: 10.6475 ± 0.0012 Å
• c: 12.8267 ± 0.0014 Å
• α: 69.167 ± 0.002°
• β: 76.885 ± 0.002°
• γ: 74.118 ± 0.002°
• Cell volume: 927.76 ± 0.18 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes