Information card for entry 2209523

Structure parameters

• Chemical name: 2-(Dipropylamino)-4-[(4-methoxyphenyl)methylene]-1-phenyl-1H-imidazol-5(4H)-one
• Formula: C23 H27 N3 O2
• Calculated formula: C23 H27 N3 O2
• SMILES: CCCN(C1=N/C(=C\c2ccc(cc2)OC)C(=O)N1c1ccccc1)CCC
• Title of publication: 2-(Dipropylamino)-4-[(4-methoxyphenyl)methylene]-1-phenyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Authors of publication: Shao-Fa Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o3107 - o3108
• a: 8.2388 ± 0.0007 Å
• b: 19.9018 ± 0.0017 Å
• c: 25.697 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4213.5 ± 0.6 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: 0.0925
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes