Information card for entry 7245901
| Chemical name |
2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine tribromobenzene |
| Formula |
C27 H15 Br3 Cl3 N3 O3 |
| Calculated formula |
C27 H15 Br3 Cl3 N3 O3 |
| Title of publication |
Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features |
| Authors of publication |
Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea |
| Journal of publication |
CrystEngComm |
| Year of publication |
2023 |
| Journal volume |
25 |
| Journal issue |
1 |
| Pages of publication |
86 - 94 |
| a |
15.25 ± 0.002 Å |
| b |
15.25 ± 0.002 Å |
| c |
6.8149 ± 0.0014 Å |
| α |
90° |
| β |
90° |
| γ |
120° |
| Cell volume |
1372.6 ± 0.4 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
173 |
| Hermann-Mauguin space group symbol |
P 63 |
| Hall space group symbol |
P 6c |
| Residual factor for all reflections |
0.0328 |
| Residual factor for significantly intense reflections |
0.0267 |
| Weighted residual factors for significantly intense reflections |
0.0623 |
| Weighted residual factors for all reflections included in the refinement |
0.0642 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
| 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/7245901.html
