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Information card for entry 8105039
Preview
| Coordinates | 8105039.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H14 Cl N O3 |
|---|---|
| Calculated formula | C10 H14 Cl N O3 |
| SMILES | [Cl-].Oc1cccc2ccc([nH+]c12)C.O.O |
| Title of publication | Crystal structure of 8-hydroxy-2-methylquinolin-1-ium chloride dihydrate, C10H14ClNO3 |
| Authors of publication | Lo, Kong Mun; Lee, See Mun; Tiekink, Edward R.T. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 235 |
| Journal issue | 1 |
| Pages of publication | 135 - 137 |
| a | 7.2706 ± 0.0002 Å |
| b | 14.844 ± 0.0005 Å |
| c | 10.391 ± 0.0003 Å |
| α | 90° |
| β | 101.101 ± 0.002° |
| γ | 90° |
| Cell volume | 1100.46 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0292 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0718 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274351 (current) | 2022-04-05 | cif/ Adding structures of 8105039 via cif-deposit CGI script. |
8105039.cif |
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Users of the data should acknowledge the original authors of the
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