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Information card for entry 2022360
Preview
| Coordinates | 2022360.cif |
|---|---|
| Structure factors | 2022360.hkl |
| Original IUCr paper | HTML |
| Common name | 6-Chloro-<i>N</i>'-(morpholine-4-carbonothioyl)picolinohydrazonamide methanol monosolvate |
|---|---|
| Chemical name | 6-Chloro-<i>N</i>'-[(morpholin-4-yl)carbothioylamino]pyridine-2-carboximidamide methanol monosolvate |
| Formula | C12 H18 Cl N5 O2 S |
| Calculated formula | C12 H18 Cl N5 O2 S |
| SMILES | C(=S)(N/N=C(N)/c1cccc(Cl)n1)N1CCOCC1.CO |
| Title of publication | Synthesis, structure and biological activity of four new picolinohydrazonamide derivatives |
| Authors of publication | Szczesio, Małgorzata; Gobis, Katarzyna; Korona-Głowniak, Izabela; Mazerant-Politowicz, Ida; Ziembicka, Dagmara; Foks, Henryk; Główka, Marek; Olczak, Andrzej |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 7 |
| Pages of publication | 673 - 680 |
| a | 6.8829 ± 0.0002 Å |
| b | 11.8924 ± 0.0003 Å |
| c | 19.0594 ± 0.0005 Å |
| α | 90° |
| β | 98.737 ± 0.001° |
| γ | 90° |
| Cell volume | 1541.99 ± 0.07 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0254 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0689 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 264472 (current) | 2021-04-23 | cif/ hkl/ Updating files of 2022360 Original log message: Adding Fobs data. |
2022360.cif 2022360.hkl |
| 264471 | 2021-04-23 | cif/ Adding structures of 2022359, 2022360, 2022361, 2022362 via cif-deposit CGI script. |
2022360.cif |
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Users of the data should acknowledge the original authors of the
structural data.