Information card for entry 2244147

Structure parameters

• Chemical name: <i>N</i>-(2,6-dimethylphenyl)-2-[3-hydroxy-2-oxo-3-(2-oxopropyl)indolin-\ 1-yl]acetamide
• Formula: C21 H22 N2 O4
• Calculated formula: C21 H22 N2 O4
• SMILES: OC1(c2c(N(C1=O)CC(=O)Nc1c(cccc1C)C)cccc2)CC(=O)C
• Title of publication: Crystal structure and Hirshfeld surface analysis of <i>N</i>-(2,6-dimethylphenyl)-2-[3-hydroxy-2-oxo-3-(2-oxopropyl)indolin-1-yl]acetamide
• Authors of publication: Nchioua, Intissar; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 9
• a: 13.8608 ± 0.0005 Å
• b: 8.8352 ± 0.0003 Å
• c: 15.5411 ± 0.0006 Å
• α: 90°
• β: 98.468 ± 0.001°
• γ: 90°
• Cell volume: 1882.46 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1285
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes