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Information card for entry 2021518
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| Coordinates | 2021518.cif |
|---|---|
| Structure factors | 2021518.hkl |
| Original IUCr paper | HTML |
| Common name | (<i>E</i>)-2-Benzoylpyridine-4-nitroimidazole hydrazone |
|---|---|
| Chemical name | (<i>E</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 | n1c(cccc1)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 | 5.8656 ± 0.0004 Å |
| b | 10.3304 ± 0.0012 Å |
| c | 13.7224 ± 0.0016 Å |
| α | 74.736 ± 0.01° |
| β | 88.725 ± 0.008° |
| γ | 87.006 ± 0.008° |
| Cell volume | 801.04 ± 0.15 Å3 |
| Cell temperature | 270 ± 2 K |
| Ambient diffraction temperature | 270 ± 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 | 0.1032 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1383 |
| Weighted residual factors for all reflections included in the refinement | 0.166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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 |
|---|---|---|---|
| 213660 (current) | 2019-02-15 | cif/ hkl/ Adding structures of 2021515, 2021516, 2021517, 2021518 via cif-deposit CGI script. |
2021518.cif 2021518.hkl |
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Users of the data should acknowledge the original authors of the
structural data.