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Information card for entry 2242379
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| Coordinates | 2242379.cif |
|---|---|
| Structure factors | 2242379.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2,2'-Bipyridin-1'-ium 1-oxide bromide monohydrate |
|---|---|
| Formula | C10 H11 Br N2 O2 |
| Calculated formula | C10 H11 Br N2 O2 |
| Title of publication | 2,2'-Bipyridin-1'-ium 1-oxide bromide monohydrate |
| Authors of publication | Heintz, Katharina; Görls, Helmar; Imhof, Wolfgang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 3 |
| Pages of publication | 341 - 344 |
| a | 5.7882 ± 0.0001 Å |
| b | 9.2095 ± 0.0002 Å |
| c | 20.2485 ± 0.0004 Å |
| α | 90° |
| β | 91.701 ± 0.001° |
| γ | 90° |
| Cell volume | 1078.9 ± 0.04 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0495 |
| Weighted residual factors for all reflections included in the refinement | 0.0524 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 206430 (current) | 2018-02-14 | cif/ hkl/ Adding structures of 2242379 via cif-deposit CGI script. |
2242379.cif 2242379.hkl |
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