Information card for entry 2237701

Structure parameters

• Chemical name: (<i>Z</i>)-1-(2-Hydroxyethyl)-4-(2-methoxybenzylidene)-2-methyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Formula: C14 H16 N2 O3
• Calculated formula: C14 H16 N2 O3
• SMILES: O=C1N(C(=NC\1=C/c1ccccc1OC)C)CCO
• Title of publication: (<i>Z</i>)-1-(2-Hydroxyethyl)-4-(2-methoxybenzylidene)-2-methyl-1<i>H</i>-imidazol-5(4<i>H</i>)-one
• Authors of publication: Wu, Hongyi; Wang, Weihua; Walker, Jr, Edwin H.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o604 - o605
• a: 9.2188 ± 0.0005 Å
• b: 7.2767 ± 0.0004 Å
• c: 9.562 ± 0.0005 Å
• α: 90°
• β: 93.625 ± 0.006°
• γ: 90°
• Cell volume: 640.16 ± 0.06 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0334
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes