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Information card for entry 8106538
Preview
| Coordinates | 8106538.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 Br2 N2 O3 |
|---|---|
| Calculated formula | C14 H10 Br2 N2 O3 |
| SMILES | Brc1cc(Br)cc(c1O)/C=N/c1c(cc(cc1)C)N(=O)=O |
| Title of publication | Crystal structure of (E)-2,4-dibromo-6-(((4-methyl-2-nitrophenyl)imino) methyl)phenol, C10H14Br2N2O3 |
| Authors of publication | Hong, Yong; Gou, Gaozhang; Liu, Wei; Yan, Heping |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2017 |
| Journal volume | 232 |
| Journal issue | 3 |
| Pages of publication | 365 - 366 |
| a | 13.458 ± 0.002 Å |
| b | 7.2464 ± 0.0013 Å |
| c | 15.027 ± 0.003 Å |
| α | 90° |
| β | 96.846 ± 0.003° |
| γ | 90° |
| Cell volume | 1455 ± 0.4 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 | 0.052 |
| Residual factor for significantly intense reflections | 0.0474 |
| Weighted residual factors for significantly intense reflections | 0.1241 |
| Weighted residual factors for all reflections included in the refinement | 0.1314 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 280514 (current) | 2023-01-23 | cif/ Adding structures of 8106538 via cif-deposit CGI script. |
8106538.cif |
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Users of the data should acknowledge the original authors of the
structural data.