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Information card for entry 2229619
Preview
Coordinates | 2229619.cif |
---|---|
Structure factors | 2229619.hkl |
Original IUCr paper | HTML |
Chemical name | 3-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-6-bromo-2-phenyl- 3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
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Formula | C22 H17 Br N6 |
Calculated formula | C22 H17 Br N6 |
SMILES | Brc1cnc2c(c1)nc(n2Cc1cnnn1Cc1ccccc1)c1ccccc1 |
Title of publication | 3-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
Authors of publication | Ouzidan, Younes; Kandri Rodi, Youssef; Fronczek, Frank R.; Venkatraman, Ramaiyer; Essassi, El Mokhtar; El Ammari, Lahcen |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 4 |
Pages of publication | o890 - o891 |
a | 41.122 ± 0.006 Å |
b | 5.8358 ± 0.001 Å |
c | 15.988 ± 0.003 Å |
α | 90° |
β | 93.922 ± 0.006° |
γ | 90° |
Cell volume | 3827.8 ± 1.1 Å3 |
Cell temperature | 93 ± 0.5 K |
Ambient diffraction temperature | 93 ± 0.5 K |
Number of distinct elements | 4 |
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 | 0.1264 |
Residual factor for significantly intense reflections | 0.0484 |
Weighted residual factors for significantly intense reflections | 0.0857 |
Weighted residual factors for all reflections included in the refinement | 0.109 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2229619.html
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Users of the data should acknowledge the original authors of the
structural data.