Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4024450
Preview
Coordinates | 4024450.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 4,4,5,5-Tetramethyl-2-(6-(pyridin-2-yl)-1- oxidopyridin-2-yl)-4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl |
---|---|
Formula | C17 H19 N4 O3 |
Calculated formula | C17 H19 N4 O3 |
SMILES | O=[N]1C(C)(C)C(N(=O)=C1c1[n](=O)c(c2ccccn2)ccc1)(C)C |
Title of publication | SNH Approach in the Synthesis of Nitronyl Nitroxides |
Authors of publication | Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2009 |
Journal volume | 74 |
Pages of publication | 2870 - 2872 |
a | 7.874 ± 0.005 Å |
b | 18.647 ± 0.013 Å |
c | 10.976 ± 0.008 Å |
α | 90° |
β | 91.425 ± 0.012° |
γ | 90° |
Cell volume | 1611.1 ± 1.9 Å3 |
Cell temperature | 240 ± 2 K |
Ambient diffraction temperature | 240 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1046 |
Residual factor for significantly intense reflections | 0.0595 |
Weighted residual factors for significantly intense reflections | 0.1269 |
Weighted residual factors for all reflections included in the refinement | 0.1443 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
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/4024450.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.