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Information card for entry 8106835
Preview
| Coordinates | 8106835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H8 Br2 N2 O3 |
|---|---|
| Calculated formula | C13 H8 Br2 N2 O3 |
| SMILES | Brc1cc(Br)cc(/C=N/c2c(N(=O)=O)cccc2)c1O |
| Title of publication | Crystal structure of (E)-2,4-dibromo-6-(((2-nitrophenyl)imino)methyl)phenol, C13H8Br2N2O3 |
| Authors of publication | Hong, Yong; Huang, Dushu; Liu, Wei; Zhang, Yinghong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 1 |
| Pages of publication | 231 - 232 |
| a | 12.794 ± 0.003 Å |
| b | 7.2041 ± 0.0015 Å |
| c | 14.862 ± 0.003 Å |
| α | 90° |
| β | 93.355 ± 0.005° |
| γ | 90° |
| Cell volume | 1367.5 ± 0.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0921 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281655 (current) | 2023-03-06 | cif/ Adding structures of 8106835 via cif-deposit CGI script. |
8106835.cif |
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Users of the data should acknowledge the original authors of the
structural data.