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Information card for entry 1543320
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| Coordinates | 1543320.cif |
|---|---|
| Structure factors | 1543320.hkl |
| Original IUCr paper | HTML |
| Chemical name | 6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
|---|---|
| Formula | C13 H9 Br Cl N3 |
| Calculated formula | C13 H9 Br Cl N3 |
| SMILES | Brc1cc2nc(n(c2nc1)C)c1ccc(Cl)cc1 |
| Title of publication | 6-Bromo-2-(4-chlorophenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
| Authors of publication | Bourichi, Selma; Kandri Rodi, Youssef; Ouzidan, Younes; 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 | x160763 |
| a | 12.1163 ± 0.0002 Å |
| b | 9.7911 ± 0.0002 Å |
| c | 20.9428 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2484.48 ± 0.08 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0319 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0661 |
| Weighted residual factors for all reflections included in the refinement | 0.0694 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182951 (current) | 2016-05-14 | cif/ hkl/ Adding structures of 1543320 via cif-deposit CGI script. |
1543320.cif 1543320.hkl |
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Users of the data should acknowledge the original authors of the
structural data.