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Information card for entry 2021517
Preview
| Coordinates | 2021517.cif |
|---|---|
| Structure factors | 2021517.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | (<i>Z</i>)-2-Benzoylpyridine-4-nitroimidazole hydrazone |
|---|---|
| Chemical name | (<i>Z</i>)-2-(2-Nitro-1<i>H</i>-imidazol-1-yl)-<i>N</i>'-[(phenyl)(pyridin-2-yl)methylidene]acetohydrazide |
| Formula | C17 H14 N6 O3 |
| Calculated formula | C17 H14 N6 O3 |
| SMILES | c1(ccccn1)/C(=N\NC(=O)Cn1cnc(c1)N(=O)=O)c1ccccc1 |
| 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 | 13.1965 ± 0.0005 Å |
| b | 14.0718 ± 0.0006 Å |
| c | 8.9747 ± 0.0005 Å |
| α | 90° |
| β | 92.596 ± 0.004° |
| γ | 90° |
| Cell volume | 1664.88 ± 0.13 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 | 0.0748 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021517.cif 2021517.hkl |
| 213660 | 2019-02-15 | cif/ hkl/ Adding structures of 2021515, 2021516, 2021517, 2021518 via cif-deposit CGI script. |
2021517.cif 2021517.hkl |
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Users of the data should acknowledge the original authors of the
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