Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2244147
Preview
| Coordinates | 2244147.cif |
|---|---|
| Structure factors | 2244147.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277316 (current) | 2022-08-19 | cif/ hkl/ Adding structures of 2244147 via cif-deposit CGI script. |
2244147.cif 2244147.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.