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Information card for entry 2242189
Preview
| Coordinates | 2242189.cif |
|---|---|
| Structure factors | 2242189.hkl |
| Original IUCr paper | HTML |
| Chemical name | (<i>E</i>)-<i>N</i>'-(3-Fluoro-2-hydroxybenzylidene)isonicotinohydrazide |
|---|---|
| Formula | C13 H10 F N3 O2 |
| Calculated formula | C13 H10 F N3 O2 |
| SMILES | Fc1c(O)c(/C=N/NC(=O)c2ccncc2)ccc1 |
| Title of publication | Crystal structure of (<i>E</i>)-<i>N</i>'-(3-fluoro-2-hydroxybenzylidene)isonicotinohydrazide |
| Authors of publication | Jiajaroen, Suwadee; Chainok, Kittipong; Kielar, Filip |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 8 |
| Pages of publication | 1151 - 1153 |
| a | 7.8555 ± 0.0003 Å |
| b | 10.2748 ± 0.0005 Å |
| c | 14.939 ± 0.0007 Å |
| α | 90° |
| β | 92.397 ± 0.002° |
| γ | 90° |
| Cell volume | 1204.73 ± 0.09 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 K |
| Number of distinct elements | 5 |
| 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 | 0.0623 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0885 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199159 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2242189 via cif-deposit CGI script. |
2242189.cif 2242189.hkl |
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Users of the data should acknowledge the original authors of the
structural data.