Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022775
Preview
| Coordinates | 2022775.cif |
|---|---|
| Structure factors | 2022775.hkl |
| Original IUCr paper | HTML |
| Common name | 2-[(2,3,5,6-Tetrafluoropyridin-4-yl)amino]ethyl methacrylate |
|---|---|
| Chemical name | 2-[(2,3,5,6-Tetrafluoropyridin-4-yl)amino]ethyl 2-methylprop-2-enoate |
| Formula | C11 H10 F4 N2 O2 |
| Calculated formula | C11 H10 F4 N2 O2 |
| Title of publication | Synthesis and crystal structure of 2-[(2,3,5,6-tetra-fluoro-pyridin-4-yl)amino]-ethyl methacrylate. |
| Authors of publication | Overstreet, Shayla M. J.; Genzia, Ian M.; Nguyen, Alexander; Auleciems, Zachary J.; Jennings, Abby R.; Peloquin, Andrew J. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 6 |
| Pages of publication | 571 - 574 |
| a | 6.8588 ± 0.0001 Å |
| b | 10.7797 ± 0.0002 Å |
| c | 15.7707 ± 0.0002 Å |
| α | 90° |
| β | 91.251 ± 0.001° |
| γ | 90° |
| Cell volume | 1165.74 ± 0.03 Å3 |
| Cell temperature | 106.15 K |
| Ambient diffraction temperature | 106.15 K |
| Number of distinct elements | 5 |
| 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 | 0.0417 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0867 |
| Weighted residual factors for all reflections included in the refinement | 0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285058 (current) | 2023-07-06 | cif/ Updating files of 2022775 Original log message: Adding full bibliography for 2022775.cif. |
2022775.cif 2022775.hkl |
| 284040 | 2023-05-27 | cif/ hkl/ Adding structures of 2022775 via cif-deposit CGI script. |
2022775.cif 2022775.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.