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Information card for entry 1550481
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1550481.cif |
---|---|
Structure factors | 1550481.hkl |
Original IUCr paper | HTML |
Chemical name | 6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
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Formula | C23 H26 Br Cl N6 |
Calculated formula | C23 H26 Br Cl N6 |
SMILES | Brc1cc2nc(n(c2nc1)Cc1nnn(c1)CCCCCCCC)c1ccc(Cl)cc1 |
Title of publication | 6-Bromo-2-(4-chlorophenyl)-3-[(1-octyl-1<i>H</i>-1,2,3-triazol-4-yl)methyl]-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine |
Authors of publication | Bourichi, Selma; Kandri Rodi, Youssef; Hökelek, Tuncer; Chakroune, Said; Ouzidan, Younes; Capet, Frédéric |
Journal of publication | IUCrData |
Year of publication | 2019 |
Journal volume | 4 |
Journal issue | 1 |
Pages of publication | x190053 |
a | 16.252 ± 0.003 Å |
b | 5.3787 ± 0.0009 Å |
c | 27.109 ± 0.004 Å |
α | 90° |
β | 90.551 ± 0.012° |
γ | 90° |
Cell volume | 2369.6 ± 0.7 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 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 | 0.1309 |
Residual factor for significantly intense reflections | 0.0534 |
Weighted residual factors for significantly intense reflections | 0.1008 |
Weighted residual factors for all reflections included in the refinement | 0.1243 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
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/1550481.html
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Users of the data should acknowledge the original authors of the
structural data.