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Information card for entry 1543319
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| Coordinates | 1543319.cif |
|---|---|
| Structure factors | 1543319.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate |
|---|---|
| Formula | C16 H14 Br N3 O2 |
| Calculated formula | C16 H14 Br N3 O2 |
| SMILES | Brc1cc2n(c(nc2nc1)c1ccccc1)CC(=O)OCC |
| Title of publication | Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate |
| Authors of publication | Hjouji, Mohammed Yassin; Kandri Rodi, Youssef; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 5 |
| Pages of publication | x160771 |
| a | 14.6923 ± 0.0008 Å |
| b | 6.1988 ± 0.0003 Å |
| c | 16.2254 ± 0.0008 Å |
| α | 90° |
| β | 92.911 ± 0.001° |
| γ | 90° |
| Cell volume | 1475.82 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0414 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.0814 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182950 (current) | 2016-05-14 | cif/ hkl/ Adding structures of 1543319 via cif-deposit CGI script. |
1543319.cif 1543319.hkl |
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Users of the data should acknowledge the original authors of the
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