Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7202980
Preview
Coordinates | 7202980.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 5,5'-dimethyl-2,2'-bipyridine-1-oxide |
---|---|
Chemical name | 5,5'-dimethyl-2,2'-bipyridine-1-oxide |
Formula | C12 H10 N4 O5 |
Calculated formula | C12 H10 N4 O5 |
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 | 8.167 ± 0.0003 Å |
b | 13.4699 ± 0.0006 Å |
c | 11.3597 ± 0.0006 Å |
α | 90° |
β | 94.7505 ± 0.0016° |
γ | 90° |
Cell volume | 1245.37 ± 0.1 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.082 |
Residual factor for significantly intense reflections | 0.0507 |
Weighted residual factors for significantly intense reflections | 0.1352 |
Weighted residual factors for all reflections included in the refinement | 0.1478 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.943 |
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/7202980.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.