Information card for entry 2242476
Common name |
5-[2-(2,4,6-Tribromophenyl)diazenyl]tropolone |
Chemical name |
2-Hydroxy-5-[2-(2,4,6-tribromophenyl)diazen-1-yl]cyclohepta-2,4,6-trien-1-one |
Formula |
C13 H7 Br3 N2 O2 |
Calculated formula |
C13 H7 Br3 N2 O2 |
SMILES |
c1(=O)c(ccc(cc1)/N=N/c1c(cc(cc1Br)Br)Br)O |
Title of publication |
Crystal structure of 5-[2-(2,4,6-tribromophenyl)diazenyl]tropolone |
Authors of publication |
Hill, Tania N.; Savig, Kelsey L.; Lemmerer, Andreas |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2018 |
Journal volume |
74 |
Journal issue |
5 |
Pages of publication |
709 - 712 |
a |
18.1742 ± 0.0003 Å |
b |
4.7885 ± 0.0001 Å |
c |
16.0308 ± 0.0003 Å |
α |
90° |
β |
104.56 ± 0.001° |
γ |
90° |
Cell volume |
1350.31 ± 0.04 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for significantly intense reflections |
0.0225 |
Weighted residual factors for all reflections included in the refinement |
0.051 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.015 |
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/2242476.html