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Information card for entry 8104941
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| Coordinates | 8104941.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-(chloromethyl)pyridine |
|---|---|
| Chemical name | 2-(chloromethyl)pyridine |
| Formula | C6 H6 Cl N |
| Calculated formula | C6 H6 Cl N |
| Title of publication | The crystal structure of 2-(chloromethyl)pyridine, C6H6ClN |
| Authors of publication | Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 263 - 265 |
| a | 6.5211 ± 0.0002 Å |
| b | 10.2467 ± 0.0003 Å |
| c | 9.1436 ± 0.0003 Å |
| α | 90° |
| β | 94.1771 ± 0.0011° |
| γ | 90° |
| Cell volume | 609.35 ± 0.03 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0282 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274104 (current) | 2022-03-30 | cif/ Adding structures of 8104941 via cif-deposit CGI script. |
8104941.cif |
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Users of the data should acknowledge the original authors of the
structural data.