Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8104659
Preview
| Coordinates | 8104659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H16 F N3 O2 |
|---|---|
| Calculated formula | C24 H16 F N3 O2 |
| Title of publication | The crystal structure of 5-benzoyl-1-[(E)-(4-fluorobenzylidene)amino]-4-phenylpyrimidin-2(1H)-one, C24H16FN3O2 |
| Authors of publication | Atioğlu, Zeliha; Karataş, Halis; Kökbudak, Zülbiye |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1035 - 1037 |
| a | 6.0024 ± 0.0005 Å |
| b | 19.474 ± 0.002 Å |
| c | 8.3531 ± 0.0008 Å |
| α | 90° |
| β | 91.75 ± 0.009° |
| γ | 90° |
| Cell volume | 975.94 ± 0.16 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0631 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.0733 |
| Weighted residual factors for all reflections included in the refinement | 0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273487 (current) | 2022-03-07 | cif/ Adding structures of 8104659 via cif-deposit CGI script. |
8104659.cif |
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.