Information card for entry 2227305

Structure parameters

• Chemical name: 1-<i>sec</i>-Butyl-3-[hydroxy(1-methyl-1<i>H</i>-indol-3- yl)methylidene]pyrrolidine-2,4-dione
• Formula: C18 H20 N2 O3
• Calculated formula: C18 H20 N2 O3
• SMILES: CCC(N1CC(=O)/C(=C(\c2cn(c3c2cccc3)C)O)C1=O)C
• Title of publication: 1-<i>sec</i>-Butyl-3-[hydroxy(1-methyl-1<i>H</i>-indol-3-yl)methylidene]pyrrolidine-2,4-dione
• Authors of publication: Xu, Hai-zhen; Zhu, You-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2248
• a: 11.781 ± 0.002 Å
• b: 10.529 ± 0.002 Å
• c: 12.644 ± 0.003 Å
• α: 90°
• β: 97.18 ± 0.03°
• γ: 90°
• Cell volume: 1556.1 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes