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Information card for entry 8104827
Preview
| Coordinates | 8104827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H10 Br2 N2 O2 |
|---|---|
| Calculated formula | C14 H7 Br2 N2 O2 |
| Title of publication | Crystal structure of 4-bromo-N′-[(3-chloro-2-hydroxyphenyl)methylidene]benzohydrazide, C14H7Br2N2O2 |
| Authors of publication | Xu, Xindi; Tian, Hui; Wang, Xia; Wang, Man; Wu, Qiong |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 2 |
| Pages of publication | 347 - 348 |
| a | 4.8308 ± 0.0002 Å |
| b | 6.1438 ± 0.0002 Å |
| c | 23.0836 ± 0.0009 Å |
| α | 90° |
| β | 91.0784 ± 0.0014° |
| γ | 90° |
| Cell volume | 684.99 ± 0.04 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1087 |
| Weighted residual factors for all reflections included in the refinement | 0.1108 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.206 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273890 (current) | 2022-03-22 | cif/ Adding structures of 8104827 via cif-deposit CGI script. |
8104827.cif |
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Users of the data should acknowledge the original authors of the
structural data.