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Information card for entry 1543342
Preview
| Coordinates | 1543342.cif |
|---|---|
| Structure factors | 1543342.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
|---|---|
| Formula | C7 H6 Br N3 |
| Calculated formula | C7 H6 Br N3 |
| SMILES | Brc1cc2[nH]c(nc2nc1)C |
| Title of publication | 6-Bromo-2-methyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
| Authors of publication | Bouayad, Kaoutar; Kandri Rodi, Youssef; El Ghadraoui, El Houcine; Mague, Joel T.; Essassi, El Mokhtar; Zouihri, Hafid |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160766 |
| a | 11.0395 ± 0.0012 Å |
| b | 6.4734 ± 0.0007 Å |
| c | 11.1397 ± 0.0012 Å |
| α | 90° |
| β | 98.889 ± 0.001° |
| γ | 90° |
| Cell volume | 786.52 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0524 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0842 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183058 (current) | 2016-05-21 | cif/ hkl/ Adding structures of 1543342 via cif-deposit CGI script. |
1543342.cif 1543342.hkl |
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Users of the data should acknowledge the original authors of the
structural data.