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Information card for entry 8106331
Preview
| Coordinates | 8106331.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 Br Cl N2 O |
|---|---|
| Calculated formula | C14 H12 Br Cl N2 O |
| SMILES | Brc1cc(Cl)cc(/C(=N/c2c(N)cccc2)C)c1O |
| Title of publication | Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-6-bromo-4-chlorophenol, C14H12BrClN2O |
| Authors of publication | Hong, Yong; Liu, Wei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 5 |
| Pages of publication | 881 - 882 |
| a | 3.9454 ± 0.001 Å |
| b | 24.189 ± 0.006 Å |
| c | 13.728 ± 0.003 Å |
| α | 90° |
| β | 90.07° |
| γ | 90° |
| Cell volume | 1310.1 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0834 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1337 |
| Weighted residual factors for all reflections included in the refinement | 0.1584 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279723 (current) | 2022-12-06 | cif/ Adding structures of 8106331 via cif-deposit CGI script. |
8106331.cif |
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