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Information card for entry 2241377
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| Coordinates | 2241377.cif |
|---|---|
| Structure factors | 2241377.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | 4-Bromo-2-(1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol |
|---|---|
| Formula | C12 H8 Br N3 O |
| Calculated formula | C12 H8 Br N3 O |
| SMILES | Brc1cc(c(O)cc1)c1[nH]c2ncccc2n1 |
| Title of publication | Crystal structure of 4-bromo-2-(1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol |
| Authors of publication | Ouari, Kamel |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 12 |
| Pages of publication | o991 - o992 |
| a | 5.5906 ± 0.0003 Å |
| b | 12.9032 ± 0.0007 Å |
| c | 14.7622 ± 0.0006 Å |
| α | 90° |
| β | 102.836 ± 0.003° |
| γ | 90° |
| Cell volume | 1038.28 ± 0.09 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0832 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.0917 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181914 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13. |
2241377.cif 2241377.hkl |
| 170609 | 2015-11-29 | cif/ hkl/ Adding structures of 2241377 via cif-deposit CGI script. |
2241377.cif 2241377.hkl |
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Users of the data should acknowledge the original authors of the
structural data.