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Information card for entry 2312720
Preview
| Coordinates | 2312720.cif |
|---|---|
| Structure factors | 2312720.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-(4-Phenylpiperazin-1-yl)-<i>N</i>'-(pyrrolidine-1-carbonothioyl)picolinohydrazonamide |
|---|---|
| Formula | C21 H27 N7 S |
| Calculated formula | C21 H27 N7 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 | 10.6953 ± 0.0002 Å |
| b | 12.8703 ± 0.0003 Å |
| c | 15.4917 ± 0.0003 Å |
| α | 95.157 ± 0.0017° |
| β | 107.466 ± 0.002° |
| γ | 97.8737 ± 0.0018° |
| Cell volume | 1995.51 ± 0.08 Å3 |
| Cell temperature | 99.9 ± 0.4 K |
| Ambient diffraction temperature | 99.9 ± 0.4 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 | 0.0362 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0899 |
| Weighted residual factors for all reflections included in the refinement | 0.0916 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2312720.cif 2312720.hkl |
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Users of the data should acknowledge the original authors of the
structural data.