Information card for entry 2222704

Structure parameters

• Chemical name: 2-(2,6-Dichlorobenzyl)pyrrolidine-1,3-dione
• Formula: C11 H9 Cl2 N O2
• Calculated formula: C11 H9 Cl2 N O2
• SMILES: Clc1c(CN2C(=O)CCC2=O)c(Cl)ccc1
• Title of publication: 2-(2,6-Dichlorobenzyl)pyrrolidine-1,3-dione
• Authors of publication: Huang, Peng-Mian; Wang, Xiao-Chun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1762
• a: 4.8057 ± 0.0005 Å
• b: 9.4388 ± 0.0008 Å
• c: 23.936 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1085.74 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes