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Information card for entry 2241226
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| Coordinates | 2241226.cif |
|---|---|
| Structure factors | 2241226.hkl |
| Original IUCr paper | HTML |
| Chemical name | 3-Bromopyridine <i>N</i>-oxide |
|---|---|
| Formula | C5 H4 Br N O |
| Calculated formula | C5 H4 Br N O |
| SMILES | Brc1cn(=O)ccc1 |
| Title of publication | Crystal structure of 3-bromopyridine <i>N</i>-oxide |
| Authors of publication | Hutchinson, Matthew G.; Lynch, Will E.; Padgett, Clifford W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | o869 |
| a | 7.832 ± 0.005 Å |
| b | 18.398 ± 0.01 Å |
| c | 8.298 ± 0.005 Å |
| α | 90° |
| β | 92.906 ± 0.005° |
| γ | 90° |
| Cell volume | 1194.1 ± 1.2 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.071 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.078 |
| Weighted residual factors for all reflections included in the refinement | 0.092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241226.cif 2241226.hkl |
| 169821 | 2015-10-29 | cif/ hkl/ Adding structures of 2241226 via cif-deposit CGI script. |
2241226.cif 2241226.hkl |
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Users of the data should acknowledge the original authors of the
structural data.