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Information card for entry 8107588
Preview
| Coordinates | 8107588.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H15 Br Cl2 N2 O2 |
|---|---|
| Calculated formula | C17 H15 Br Cl2 N2 O2 |
| SMILES | Brc1cc(c(c(c1)Cl)Nc1ccccc1C(=O)N1CCOCC1)Cl |
| Title of publication | Crystal structure of (2-((4-bromo-2,6-dichlorophenyl)amino)phenyl) (morpholino)methanone, C17H15BrCl2N2O2 |
| Authors of publication | Zhang, Cuiya; Han, Xiaojuan; Tang, Wenqiang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 5 |
| Pages of publication | 877 - 878 |
| a | 20.333 ± 0.007 Å |
| b | 11.226 ± 0.005 Å |
| c | 7.843 ± 0.003 Å |
| α | 90° |
| β | 99.651 ± 0.008° |
| γ | 90° |
| Cell volume | 1764.9 ± 1.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 6 |
| 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 | 0.0619 |
| Residual factor for significantly intense reflections | 0.0464 |
| Weighted residual factors for significantly intense reflections | 0.1488 |
| Weighted residual factors for all reflections included in the refinement | 0.1601 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286869 (current) | 2023-10-10 | cif/ Adding structures of 8107588 via cif-deposit CGI script. |
8107588.cif |
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Users of the data should acknowledge the original authors of the
structural data.