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Information card for entry 2203246
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| Coordinates | 2203246.cif |
|---|---|
| Structure factors | 2203246.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Chloro-3-chloromethylbenzo[h]quinoline |
|---|---|
| Formula | C14 H9 Cl2 N |
| Calculated formula | C14 H9 Cl2 N |
| SMILES | Clc1nc2c3c(ccc2cc1CCl)cccc3 |
| Title of publication | 2-Chloro-3-chloromethylbenzo[<i>h</i>]quinoline |
| Authors of publication | Beghidja, Adel; Benboudiaf, Ali; Beghidja, Chahrazed; Welter, Richard |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 2 |
| Pages of publication | o228 - o229 |
| a | 6.9211 ± 0.001 Å |
| b | 8.3176 ± 0.001 Å |
| c | 10.648 ± 0.001 Å |
| α | 79.21 ± 0.1° |
| β | 76.19 ± 0.1° |
| γ | 85.84 ± 0.1° |
| Cell volume | 584.5 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1213 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1585 |
| Weighted residual factors for all reflections included in the refinement | 0.2095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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