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Information card for entry 7224727
Preview
| Coordinates | 7224727.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | bipyridine hydrobromide |
|---|---|
| Chemical name | bipyridine hydrobromide |
| Formula | C10 H10 Br2 N2 |
| Calculated formula | C10 H10 Br2 N2 |
| SMILES | c1cc(cc[nH+]1)c1cc[nH+]cc1.[Br-].[Br-] |
| Title of publication | Pressure-preferred symmetric reactions of 4,4′-bipyridine hydrobromide |
| Authors of publication | Anioła, Michalina; Katrusiak, Andrzej |
| Journal of publication | CrystEngComm |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 18 |
| Pages of publication | 3223 |
| a | 4.874 ± 0.004 Å |
| b | 7.567 ± 0.006 Å |
| c | 7.936 ± 0.004 Å |
| α | 70.73 ± 0.06° |
| β | 86.64 ± 0.05° |
| γ | 77.47 ± 0.07° |
| Cell volume | 269.7 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Cell measurement pressure | 20000 kPa |
| 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0487 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1238 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7224727.cif |
| 182635 | 2016-05-06 | cif/ Updating files of 7224724, 7224725, 7224726, 7224727, 7224728, 7224729 Original log message: Adding full bibliography for 7224724--7224729.cif. |
7224727.cif |
| 180213 | 2016-03-26 | cif/ Adding structures of 7224724, 7224725, 7224726, 7224727, 7224728, 7224729 via cif-deposit CGI script. |
7224727.cif |
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Users of the data should acknowledge the original authors of the
structural data.