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Information card for entry 2312131
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| Coordinates | 2312131.cif |
|---|---|
| Structure factors | 2312131.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-{Amino[6-(piperidin-1-yl)pyridin-2-yl]methylidene}-<i>N</i>,<i>N</i>-dimethylhydrazine-1-carbothioamide |
|---|---|
| Formula | C14 H22 N6 S |
| Calculated formula | C14 H22 N6 S |
| Title of publication | Synthesis, structure, ADME and biological activity of three 2,6-disubstituted thiosemicarbazone derivatives. |
| Authors of publication | Ziembicka, Dagmara; Olczak, Andrzej; Gobis, Katarzyna; Korona-Głowniak, Izabela; Pietrzak, Anna; Augustynowicz-Kopeć, Ewa; Głogowska, Agnieszka; Zaborowski, Marcin; Szczesio, Małgorzata |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 7 |
| Pages of publication | 283 - 291 |
| a | 9.3148 ± 0.0002 Å |
| b | 9.386 ± 0.0001 Å |
| c | 36.2261 ± 0.0005 Å |
| α | 90° |
| β | 94.812 ± 0.001° |
| γ | 90° |
| Cell volume | 3156.04 ± 0.09 Å3 |
| Cell temperature | 99.9 ± 0.4 K |
| Ambient diffraction temperature | 99.9 ± 0.4 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 | 0.0528 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.143 |
| Weighted residual factors for all reflections included in the refinement | 0.1465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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 |
|---|---|---|---|
| 284681 (current) | 2023-06-29 | cif/ hkl/ Adding structures of 2312130, 2312131, 2312132 via cif-deposit CGI script. |
2312131.cif 2312131.hkl |
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Users of the data should acknowledge the original authors of the
structural data.