Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021515
Preview
| Coordinates | 2021515.cif |
|---|---|
| Structure factors | 2021515.hkl |
| Original IUCr paper | HTML |
| Common name | 2-Acetylpyridine-4-nitroimidazole hydrazone |
|---|---|
| Chemical name | 2-(4-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[1-(pyridin-2-yl)ethylidene]acetohydrazide |
| Formula | C12 H12 N6 O3 |
| Calculated formula | C12 H12 N6 O3 |
| Title of publication | Structural studies and antileishmanial activity of 2-acetylpyridine and 2-benzoylpyridine nitroimidazole-derived hydrazones |
| Authors of publication | Oliveira, Ana P. A.; Ferreira, Isabella P.; Despaigne, Angel A. Recio; da Silva, Jeferson G.; Vieira, Ana Carolina S.; Santos, Mariana S.; Alexandre-Moreira, Magna S.; Diniz, Renata; Beraldo, Heloisa |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 3 |
| a | 5.9284 ± 0.0004 Å |
| b | 13.6918 ± 0.0007 Å |
| c | 16.0601 ± 0.0012 Å |
| α | 90° |
| β | 96.721 ± 0.007° |
| γ | 90° |
| Cell volume | 1294.65 ± 0.15 Å3 |
| Cell temperature | 270 ± 2 K |
| Ambient diffraction temperature | 270 ± 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213660 (current) | 2019-02-15 | cif/ hkl/ Adding structures of 2021515, 2021516, 2021517, 2021518 via cif-deposit CGI script. |
2021515.cif 2021515.hkl |
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.