Information card for entry 2203514

Structure parameters

• Chemical name: 3-(α-Hydroxy-2-methoxylbenzylidene)-1-isopropylpyrrolidine-2,4-dione
• Formula: C15 H17 N O4
• Calculated formula: C15 H17 N O4
• SMILES: O(c1ccccc1C(=C1C(=O)CN(C\1=O)C(C)C)/O)C
• Title of publication: 3-(α-Hydroxy-2-methoxylbenzylidene)-1-isopropylpyrrolidine-2,4-dione
• Authors of publication: You-Quan Zhu; Hai-Bin Song; Chang-Sheng Yao; Ying Gao; Fang-Zhong Hu; Xiao-Mao Zou; Hua-Zheng Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 4
• Pages of publication: o599 - o601
• a: 6.981 ± 0.002 Å
• b: 13.72 ± 0.004 Å
• c: 14.863 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1423.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes