Information card for entry 2228422

Structure parameters

• Chemical name: (<i>Z</i>)-3-[(4-Ethoxyphenyl)(hydroxy)methylidene]-1-isopropylpyrrolidine-2,4- dione
• Formula: C16 H19 N O4
• Calculated formula: C16 H19 N O4
• SMILES: O/C(=C1\C(=O)N(CC1=O)C(C)C)c1ccc(OCC)cc1
• Title of publication: (<i>Z</i>)-3-[(4-Ethoxyphenyl)(hydroxy)methylidene]-1-isopropylpyrrolidine-2,4-dione
• Authors of publication: Liu, Shang-Yuan; Xu, Hai-Zhen; Zhu, You-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3202
• a: 11.339 ± 0.0015 Å
• b: 5.383 ± 0.0008 Å
• c: 12.049 ± 0.0018 Å
• α: 90°
• β: 91.581 ± 0.007°
• γ: 90°
• Cell volume: 735.16 ± 0.18 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes