Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2023023
Preview
| Coordinates | 2023023.cif |
|---|---|
| Structure factors | 2023023.hkl |
| Original IUCr paper | HTML |
| Common name | <i>N</i>-(2-Nitrophenyl)maleimide |
|---|---|
| Chemical name | 1-(2-Nitrophenyl)pyrrole-2,5-dione |
| Formula | C10 H6 N2 O4 |
| Calculated formula | C10 H6 N2 O4 |
| Title of publication | Crystal structure, Hirshfeld surface analysis and DFT study of <i>N</i>-(2-nitro-phen-yl)male-imide. |
| Authors of publication | Montoya-Garcia, Maribel; Cortes-Hernandez, Héctor; D'Vries, Richard; Valencia-Sanchez, Hoover |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 3 |
| Pages of publication | 256 - 261 |
| a | 14.331 ± 0.005 Å |
| b | 7.769 ± 0.005 Å |
| c | 17.558 ± 0.005 Å |
| α | 90° |
| β | 91.969 ± 0.005° |
| γ | 90° |
| Cell volume | 1953.7 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.0988 |
| Weighted residual factors for all reflections included in the refinement | 0.1215 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291120 (current) | 2024-04-06 | cif/ Updating files of 2023023 Original log message: Adding full bibliography for 2023023.cif. |
2023023.cif 2023023.hkl |
| 289303 | 2024-02-03 | cif/ hkl/ Adding structures of 2023023 via cif-deposit CGI script. |
2023023.cif 2023023.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.