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Information card for entry 7157763
Preview
| Coordinates | 7157763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H11 Cl N2 O |
|---|---|
| Calculated formula | C16 H11 Cl N2 O |
| SMILES | Clc1c2c(nccc2)c(NC(=O)c2ccccc2)cc1 |
| Title of publication | C-5 selective chlorination of 8-aminoquinoline amides using dichloromethane. |
| Authors of publication | Lin, Xinxin; Zeng, Cuilian; Liu, Chengkou; Fang, Zheng; Guo, Kai |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 6 |
| Pages of publication | 1352 - 1357 |
| a | 18.614 ± 0.004 Å |
| b | 9.112 ± 0.0018 Å |
| c | 16.553 ± 0.003 Å |
| α | 90° |
| β | 107.01 ± 0.03° |
| γ | 90° |
| Cell volume | 2684.7 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0763 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.14 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157763.cif |
| 262721 | 2021-03-05 | cif/ Updating files of 7157763 Original log message: Adding full bibliography for 7157763.cif. |
7157763.cif |
| 259449 | 2020-12-02 | cif/ Adding structures of 7157763 via cif-deposit CGI script. |
7157763.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.