Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8106585
Preview
| Coordinates | 8106585.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 Br N2 O2 |
|---|---|
| Calculated formula | C22 H19 Br N2 O2 |
| SMILES | N(=C(C)\c1cc(/N=C/c2c(O)ccc(Br)c2)ccc1)/OCc1ccccc1 |
| Title of publication | Crystal structure of 1-(3-((5-bromo-2-hydroxybenzylidene)amino)phenyl)ethanone O-benzyl oxime, C22H19BrN2O2 |
| Authors of publication | Wang, Yan-Bin |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 503 - 504 |
| a | 18.476 ± 0.0016 Å |
| b | 4.84 ± 0.0003 Å |
| c | 21.641 ± 0.0018 Å |
| α | 90° |
| β | 96.162 ± 0.001° |
| γ | 90° |
| Cell volume | 1924 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.1368 |
| Residual factor for significantly intense reflections | 0.0542 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Weighted residual factors for all reflections included in the refinement | 0.1719 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280591 (current) | 2023-01-25 | cif/ Adding structures of 8106585 via cif-deposit CGI script. |
8106585.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.