Information card for entry 2017731
Chemical name |
pyrazine‒2,3,5,6-tetrafluorobenzene-1,4-diol (1/1) |
Formula |
C10 H6 F4 N2 O2 |
Calculated formula |
C10 H6 F4 N2 O2 |
SMILES |
c1cnccn1.Oc1c(F)c(F)c(c(c1F)F)O |
Title of publication |
Cocrystals of 2,3,5,6-tetrafluorobenzene-1,4-diol with diaza aromatic compounds |
Authors of publication |
Czapik, Agnieszka; Gdaniec, Maria |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2010 |
Journal volume |
66 |
Journal issue |
7 |
Pages of publication |
o356 - o360 |
a |
3.6671 ± 0.001 Å |
b |
7.585 ± 0.002 Å |
c |
9.582 ± 0.002 Å |
α |
88.14 ± 0.02° |
β |
85.67 ± 0.02° |
γ |
77.41 ± 0.02° |
Cell volume |
259.34 ± 0.11 Å3 |
Cell temperature |
294 ± 2 K |
Ambient diffraction temperature |
294 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0562 |
Residual factor for significantly intense reflections |
0.0482 |
Weighted residual factors for significantly intense reflections |
0.1242 |
Weighted residual factors for all reflections included in the refinement |
0.1321 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.075 |
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/2017731.html