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Information card for entry 1544816
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| Coordinates | 1544816.cif |
|---|---|
| Structure factors | 1544816.hkl |
| Original IUCr paper | HTML |
| Chemical name | Ethyl 2-{6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl}acetate |
|---|---|
| Formula | C16 H14 Br N3 O2 |
| Calculated formula | C16 H14 Br N3 O2 |
| SMILES | Brc1cnc2n(c(nc2c1)c1ccccc1)CC(=O)OCC |
| Title of publication | Ethyl 2-(6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl)acetate |
| Authors of publication | Hjouji, Mohammed Yassin; Mague, Joel T.; Kandri Rodi, Youssef; Ouzidan, Younes; Essassi, El Mokhtar |
| Journal of publication | IUCrData |
| Year of publication | 2016 |
| Journal volume | 1 |
| Journal issue | 12 |
| Pages of publication | x161999 |
| a | 21.1444 ± 0.0014 Å |
| b | 7.697 ± 0.0005 Å |
| c | 21.2671 ± 0.0014 Å |
| α | 90° |
| β | 118.073 ± 0.001° |
| γ | 90° |
| Cell volume | 3054 ± 0.3 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.043 |
| Residual factor for significantly intense reflections | 0.0307 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 189279 (current) | 2016-12-21 | cif/ hkl/ Adding structures of 1544816 via cif-deposit CGI script. |
1544816.cif 1544816.hkl |
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Users of the data should acknowledge the original authors of the
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