Information card for entry 7126865
| Formula |
C13 H10 Br N3 |
| Calculated formula |
C13 H10 Br N3 |
| SMILES |
Brc1ccc2n(nc(N)c2c1)c1ccccc1 |
| Title of publication |
Rapid access to 3-aminoindazoles from nitriles with hydrazines: a strategy to overcome the basicity barrier imparted by hydrazines. |
| Authors of publication |
Zhang, Chunyan; Zhao, Haowen; Li, Zehua; Liang, Zuyu; Qi, Shuo; Cai, Mingyu; Zhang, Sheng; Jia, Xiaofei; Zhang, Guoying; Hu, Mao-Lin |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2020 |
| Journal volume |
56 |
| Journal issue |
66 |
| Pages of publication |
9521 - 9524 |
| a |
13.7045 ± 0.0003 Å |
| b |
4.1406 ± 0.0001 Å |
| c |
20.539 ± 0.0004 Å |
| α |
90° |
| β |
95.208 ± 0.002° |
| γ |
90° |
| Cell volume |
1160.67 ± 0.04 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
4 |
| 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 |
0.0415 |
| Residual factor for significantly intense reflections |
0.04 |
| Weighted residual factors for significantly intense reflections |
0.1084 |
| Weighted residual factors for all reflections included in the refinement |
0.1103 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.05 |
| 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/7126865.html
