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Information card for entry 8104648
Preview
| Coordinates | 8104648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H9 Cl N2 O2 |
|---|---|
| Calculated formula | C17 H9 Cl N2 O2 |
| SMILES | c12C(=O)N(c3c4c(cccn4)ccc3)C(=O)c1cccc2Cl |
| Title of publication | The crystal structure of 4-chloro-2-(quinolin-8-yl)isoindoline-1,3-dione, C17H9ClN2O2 |
| Authors of publication | Yang, Fan; Yao, Lin; Zeng, Xu-Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 999 - 1000 |
| a | 13.6888 ± 0.0004 Å |
| b | 8.3775 ± 0.0002 Å |
| c | 12.918 ± 0.0003 Å |
| α | 90° |
| β | 110.515 ± 0.003° |
| γ | 90° |
| Cell volume | 1387.46 ± 0.07 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 | 0.0458 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1224 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273476 (current) | 2022-03-07 | cif/ Adding structures of 8104648 via cif-deposit CGI script. |
8104648.cif |
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Users of the data should acknowledge the original authors of the
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