Information card for entry 2207717

Structure parameters

• Chemical name: 4-(2-Furylmethylene)-2-(4-morpholino)-1-phenyl-1H-imidazol-4(5H)-one
• Formula: C18 H17 N3 O3
• Calculated formula: C18 H17 N3 O3
• SMILES: c1ccc(/C=C2C(=O)N(C(=N/2)N2CCOCC2)c2ccccc2)o1
• Title of publication: 4-(2-Furylmethylene)-2-(4-morpholino)-1-phenyl-1<i>H</i>-imidazol-4(5<i>H</i>)-one
• Authors of publication: Mao Xin; Yang-Gen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o123 - o124
• a: 5.5926 ± 0.0012 Å
• b: 8.8449 ± 0.0019 Å
• c: 16.442 ± 0.004 Å
• α: 90°
• β: 97.536 ± 0.003°
• γ: 90°
• Cell volume: 806.3 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes