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Information card for entry 2243957
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| Coordinates | 2243957.cif |
|---|---|
| Structure factors | 2243957.hkl |
| Original IUCr paper | HTML |
| Common name | 2-(Perfluorophenyl)acetamide |
|---|---|
| Chemical name | 2-(2,3,4,5,6-Pentafluorophenyl)acetamide |
| Formula | C8 H4 F5 N O |
| Calculated formula | C8 H4 F5 N O |
| SMILES | Fc1c(CC(=O)N)c(F)c(F)c(F)c1F |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of 2-(perfluorophenyl)acetamide in comparison with some related compounds |
| Authors of publication | Novikov, Anton P.; Bezdomnikov, Alexey A.; Grigoriev, Mikhail S.; German, Konstantin E. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 1 |
| Pages of publication | 80 - 83 |
| a | 14.4934 ± 0.0005 Å |
| b | 5.8247 ± 0.0002 Å |
| c | 9.7836 ± 0.0003 Å |
| α | 90° |
| β | 90.87 ± 0.002° |
| γ | 90° |
| Cell volume | 825.83 ± 0.05 Å3 |
| Cell temperature | 100.15 K |
| Ambient diffraction temperature | 100.15 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 | 0.051 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.1014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 272816 (current) | 2022-02-06 | cif/ Updating files of 2243957 Original log message: Adding full bibliography for 2243957.cif. |
2243957.cif 2243957.hkl |
| 271578 | 2021-12-22 | cif/ hkl/ Adding structures of 2243957 via cif-deposit CGI script. |
2243957.cif 2243957.hkl |
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Users of the data should acknowledge the original authors of the
structural data.