Information card for entry 7202979
| Common name |
3,3-Dinitro-2,2-bipyridine-1,1-dioxide |
| Chemical name |
3,3-Dinitro-2,2-bipyridine-1,1-dioxide |
| Formula |
C10 H6 N4 O6 |
| Calculated formula |
C10 H6 N4 O6 |
| SMILES |
O=n1c(c2c(N(=O)=O)cccn2=O)c(N(=O)=O)ccc1 |
| Title of publication |
A competition between O⋯N and O⋯C through space interactions in the crystal structures of 3,3′-dinitro-2,2′-bipyridine N-oxides and N,N′-dioxides |
| Authors of publication |
O'Leary, Jane; Wallis, John D. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2007 |
| Journal volume |
9 |
| Journal issue |
10 |
| Pages of publication |
941 |
| a |
6.1226 ± 0.0003 Å |
| b |
7.4847 ± 0.0004 Å |
| c |
13.52 ± 0.0008 Å |
| α |
102.825 ± 0.0002° |
| β |
90.226 ± 0.002° |
| γ |
111.154 ± 0.003° |
| Cell volume |
560.99 ± 0.05 Å3 |
| Cell temperature |
150 ± 2 K |
| Ambient diffraction temperature |
150 ± 2 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 |
0.097 |
| Residual factor for significantly intense reflections |
0.057 |
| Weighted residual factors for significantly intense reflections |
0.1398 |
| Weighted residual factors for all reflections included in the refinement |
0.1578 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.104 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/7202979.html
