Information card for entry 2203235

Structure parameters

• Chemical name: 1-Benzyl-3-(α-hydroxybenzylidene)pyrrolidine-2,4-dione
• Formula: C18 H15 N O3
• Calculated formula: C18 H15 N O3
• SMILES: N1(C(=O)C(=C(\O)c2ccccc2)/C(=O)C1)Cc1ccccc1
• Title of publication: 1-Benzyl-3-(α-hydroxybenzylidene)pyrrolidine-2,4-dione
• Authors of publication: You-Quan Zhu; Hai-Bin Song; Jian-Rong Li; Chang-Sheng Yao; 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: 2
• Pages of publication: o196 - o198
• a: 5.569 ± 0.003 Å
• b: 15.062 ± 0.007 Å
• c: 18.245 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1530.4 ± 1.3 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: 0.112
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes