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Information card for entry 2312722
Preview
| Coordinates | 2312722.cif |
|---|---|
| Structure factors | 2312722.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(4-Phenylpiperazin-1-yl)-<i>N</i>'-(piperidine-1-carbonothioyl)picolinohydrazonamide–dimethylformamide–water (1/1/0.285) |
|---|---|
| Formula | C25 H36.57 N8 O1.29 S |
| Calculated formula | C25 H36.57 N8 O1.285 S |
| Title of publication | Synthesis, structure and biological activity of new picolinohydrazonamide derivatives. |
| Authors of publication | Sukiennik, Jarosław; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Suśniak, Katarzyna; Fruziński, Andrzej; Szczesio, Małgorzata |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 1 |
| a | 13.1063 ± 0.0003 Å |
| b | 12.8414 ± 0.0002 Å |
| c | 15.6327 ± 0.0003 Å |
| α | 90° |
| β | 98.255 ± 0.002° |
| γ | 90° |
| Cell volume | 2603.77 ± 0.09 Å3 |
| Cell temperature | 99.9 ± 0.4 K |
| Ambient diffraction temperature | 99.9 ± 0.4 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 | 0.0417 |
| Residual factor for significantly intense reflections | 0.035 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296733 (current) | 2024-12-07 | cif/ hkl/ Adding structures of 2312720, 2312721, 2312722 via cif-deposit CGI script. |
2312722.cif 2312722.hkl |
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Users of the data should acknowledge the original authors of the
structural data.