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Information card for entry 2022862
Preview
| Coordinates | 2022862.cif |
|---|---|
| Structure factors | 2022862.hkl |
| Original IUCr paper | HTML |
| Chemical name | (2<i>Z</i>,2'<i>E</i>)-2,2'-(3-Methoxy-3-phenylpropane-1,2-diylidene)bis(2-methylhydrazine-1-carbothioamide) dimethylformamide monosolvate |
|---|---|
| Formula | C15 H23 N7 O2 S2 |
| Calculated formula | C15 H23 N7 O2 S2 |
| Title of publication | Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothioamide) dimethylformamide monosolvate |
| Authors of publication | Guseinov, Firudin I.; Knyazev, Aleksandr V.; Shuvalova, Elena V.; Kobrakov, Konstantin I.; Samigullina, Aida I.; Atioğlu, Zeliha; Akkurt, Mehmet; Bhattarai, Ajaya |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | 10 |
| a | 8.4573 ± 0.0001 Å |
| b | 23.5853 ± 0.0003 Å |
| c | 11.0072 ± 0.0001 Å |
| α | 90° |
| β | 111.749 ± 0.002° |
| γ | 90° |
| Cell volume | 2039.29 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0318 |
| Residual factor for significantly intense reflections | 0.0317 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 286352 (current) | 2023-09-15 | cif/ hkl/ Adding structures of 2022862 via cif-deposit CGI script. |
2022862.cif 2022862.hkl |
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Users of the data should acknowledge the original authors of the
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