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Information card for entry 8104672
Preview
| Coordinates | 8104672.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 4-bromobenzyl chloride |
|---|---|
| Chemical name | 4-bromobenzyl chloride |
| Formula | C7 H6 Br Cl |
| Calculated formula | C7 H6 Br Cl |
| SMILES | Brc1ccc(cc1)CCl |
| Title of publication | The crystal structure of 4-bromobenzyl chloride, C7H6BrCl |
| Authors of publication | Manana, Pholani; Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1083 - 1085 |
| a | 9.4506 ± 0.0007 Å |
| b | 18.1015 ± 0.001 Å |
| c | 4.4418 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 759.86 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0356 |
| Residual factor for significantly intense reflections | 0.0271 |
| Weighted residual factors for significantly intense reflections | 0.0537 |
| Weighted residual factors for all reflections included in the refinement | 0.0558 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273500 (current) | 2022-03-07 | cif/ Adding structures of 8104672 via cif-deposit CGI script. |
8104672.cif |
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