Information card for entry 7157664
| Chemical name |
1-heptyl-[1,2,4]triazolo[4,3-a]quinoline |
| Formula |
C17 H21 N3 |
| Calculated formula |
C17 H21 N3 |
| SMILES |
n12c3c(ccc2nnc1CCCCCCC)cccc3 |
| Title of publication |
Nitroalkanes as electrophiles: synthesis of triazole-fused heterocycles with neuroblastoma differentiation activity. |
| Authors of publication |
Aksenov, Nicolai A.; Aksenov, Alexander V.; Kirilov, Nikita K.; Arutiunov, Nikolai A.; Aksenov, Dmitrii A.; Maslivetc, Vladimir; Zhao, Zhenze; Du, Liqin; Rubin, Michael; Kornienko, Alexander |
| Journal of publication |
Organic & biomolecular chemistry |
| Year of publication |
2020 |
| Journal volume |
18 |
| Journal issue |
34 |
| Pages of publication |
6651 - 6664 |
| a |
6.7441 ± 0.0002 Å |
| b |
9.9379 ± 0.0003 Å |
| c |
12.0364 ± 0.0005 Å |
| α |
69.995 ± 0.003° |
| β |
75.972 ± 0.003° |
| γ |
81.277 ± 0.002° |
| Cell volume |
733.33 ± 0.05 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0454 |
| Residual factor for significantly intense reflections |
0.0402 |
| Weighted residual factors for significantly intense reflections |
0.1132 |
| Weighted residual factors for all reflections included in the refinement |
0.1192 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7157664.html
