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Information card for entry 8106213
Preview
| Coordinates | 8106213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 Cl2 N2 O3 |
|---|---|
| Calculated formula | C14 H10 Cl2 N2 O3 |
| SMILES | Clc1cc(/C=N/c2c(N(=O)=O)cc(cc2)C)c(O)c(Cl)c1 |
| Title of publication | Crystal structure of (E)-2,4-dichloro-6-(((4-methyl-2-nitrophenyl)imino)methyl)phenol, C14H10Cl2N2O3 |
| Authors of publication | Hong, Yong; Liu, Wei; Wu, Jie |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 549 - 550 |
| a | 13.3172 ± 0.0015 Å |
| b | 7.0899 ± 0.0007 Å |
| c | 14.828 ± 0.0015 Å |
| α | 90° |
| β | 96.739 ± 0.003° |
| γ | 90° |
| Cell volume | 1390.4 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0764 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0978 |
| Weighted residual factors for all reflections included in the refinement | 0.1136 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279494 (current) | 2022-11-23 | cif/ Adding structures of 8106213 via cif-deposit CGI script. |
8106213.cif |
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Users of the data should acknowledge the original authors of the
structural data.