Information card for entry 7059443
| Formula |
C16 H17 N5 O2 |
| Calculated formula |
C16 H17 N5 O2 |
| SMILES |
O=C(OCC)c1n2cnc(nc2nc1c1ccccc1)N(C)C |
| Title of publication |
Synthesis of imidazo[1,2-a][1,3,5]triazines by NBS-mediated coupling of 2-amino-1,3,5-triazines with 1,3-dicarbonyl compounds |
| Authors of publication |
Pan, Zexi; Song, Chan; Zhou, Wei; Cui, Dong-Mei; Zhang, Chen |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2020 |
| Journal volume |
44 |
| Journal issue |
16 |
| Pages of publication |
6182 - 6185 |
| a |
7.1753 ± 0.0005 Å |
| b |
10.1901 ± 0.0009 Å |
| c |
11.0558 ± 0.0009 Å |
| α |
109.818 ± 0.007° |
| β |
97.305 ± 0.006° |
| γ |
100.11 ± 0.006° |
| Cell volume |
733.32 ± 0.11 Å3 |
| Cell temperature |
150 K |
| Ambient diffraction temperature |
150 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0689 |
| Residual factor for significantly intense reflections |
0.0482 |
| Weighted residual factors for significantly intense reflections |
0.115 |
| Weighted residual factors for all reflections included in the refinement |
0.1312 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.028 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7059443.html
