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Information card for entry 8105213
Preview
| Coordinates | 8105213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H8 Br Cl N2 |
|---|---|
| Calculated formula | C14 H8 Br Cl N2 |
| SMILES | Brc1cc2c(cc1)ncc(c1ccc(cc1)Cl)n2 |
| Title of publication | The crystal structure of 7-Bromo-2-(4-chloro-phenyl)-quinoxaline, C14H9BrClN2 |
| Authors of publication | Zhang, Lilei; Cheng, Tianyu |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2022 |
| Journal volume | 237 |
| Journal issue | 2 |
| Pages of publication | 311 - 313 |
| a | 17.1347 ± 0.0011 Å |
| b | 3.8441 ± 0.0002 Å |
| c | 18.4127 ± 0.0012 Å |
| α | 90° |
| β | 97.861 ± 0.002° |
| γ | 90° |
| Cell volume | 1201.4 ± 0.13 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0388 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275326 (current) | 2022-05-11 | cif/ Adding structures of 8105213 via cif-deposit CGI script. |
8105213.cif |
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