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Information card for entry 8105791
Preview
| Coordinates | 8105791.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 Cl2 N2 O |
|---|---|
| Calculated formula | C14 H12 Cl2 N2 O |
| SMILES | c1cccc(c1/N=C(C)/c1cc(cc(c1O)Cl)Cl)N |
| Title of publication | Crystal structure of (E)-2-(1-((2-aminophenyl)imino)ethyl)-4,6-dichlorophenol, C14H12Cl2N2O |
| Authors of publication | Zong, Heyun; Hong, Yong; Liu, Wei; Wu, Jie |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 4 |
| Pages of publication | 595 - 596 |
| a | 3.9631 ± 0.0003 Å |
| b | 24.119 ± 0.002 Å |
| c | 13.6138 ± 0.0011 Å |
| α | 90° |
| β | 91.185 ± 0.003° |
| γ | 90° |
| Cell volume | 1301.01 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1484 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 277980 (current) | 2022-09-19 | cif/ Adding structures of 8105791 via cif-deposit CGI script. |
8105791.cif |
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