Information card for entry 1550364

Structure parameters

• Chemical name: 2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide
• Formula: C11 H8 Cl2 N2 O3
• Calculated formula: C11 H8 Cl2 N2 O3
• SMILES: Clc1cc(Cl)c(C(=O)NN2C(=O)CCC2=O)cc1
• Title of publication: 2,4-Dichloro-<i>N</i>-(2,5-dioxopyrrolidin-1-yl)benzamide
• Authors of publication: Stondus, Jigmat; Anthal, Sumati; Karanth, S.; Narayana, B.; Sarojini, B. K.; Kant, Rajni
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 12
• Pages of publication: x181740
• a: 7.8233 ± 0.0005 Å
• b: 7.4705 ± 0.0005 Å
• c: 20.1932 ± 0.0012 Å
• α: 90°
• β: 94.866 ± 0.006°
• γ: 90°
• Cell volume: 1175.92 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0541
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes