Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1546709
Preview
| Coordinates | 1546709.cif |
|---|---|
| Structure factors | 1546709.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
|---|---|
| Formula | C19 H13 Br Cl N3 |
| Calculated formula | C19 H13 Br Cl N3 |
| SMILES | Brc1cn(c2nc(nc2c1)c1ccc(Cl)cc1)Cc1ccccc1 |
| Title of publication | 4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
| Authors of publication | Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar |
| Journal of publication | IUCrData |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 6 |
| Pages of publication | x170899 |
| a | 8.7749 ± 0.0007 Å |
| b | 9.9403 ± 0.0007 Å |
| c | 10.4475 ± 0.0008 Å |
| α | 76.03 ± 0.006° |
| β | 66.511 ± 0.007° |
| γ | 85.843 ± 0.006° |
| Cell volume | 810.76 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1162 |
| Weighted residual factors for all reflections included in the refinement | 0.1244 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199305 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 1546709 via cif-deposit CGI script. |
1546709.cif 1546709.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.