The overall mol-ecular configuration of the title compound, C(12)H(16)N(6)OS(2)·C(3)H(7)NO, is stabilized in the solid state by intra-molecular C-Hâ¯N, C-Hâ¯O, N-Hâ¯N and N-Hâ¯O inter-actions, forming S(5) ring motifs. In the crystal, mol-ecules are linked to each other and solvent di-methyl-formamide mol-ecules by N-Hâ¯S, N-Hâ¯O, C-Hâ¯O and C-Hâ¯S hydrogen bonds, forming a three dimensional network. The phenyl ring of the title compound is disordered over two sites with an occupancy ratio of 0.57â (4):0.43â (4). A Hirshfeld surface analysis was performed to qu-antify the contributions of the different inter-molecular inter-actions, indicating that the most important contributions to the crystal packing are from Hâ¯H (38.7%), Sâ¯H / Hâ¯S (24.0%), Câ¯H / Hâ¯C (18.5%) and Nâ¯H / Hâ¯N (9.8%) inter-actions.
Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2'E)-2,2'-(3-meth-oxy-3-phenylpropane-1,2-diyl-idene)bis-(hydrazine-1-carbo-thioamide) di-methyl-formamide monosolvate.
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作者:Guseinov Firudin I, Knyazev Aleksandr V, Shuvalova Elena V, Kobrakov Konstantin I, Samigullina Aida I, AtioÄlu Zeliha, Akkurt Mehmet, Bhattarai Ajaya
| 期刊: | Acta Crystallographica Section E: Crystallographic Communications | 影响因子: | 0.500 |
| 时间: | 2023 | 起止号: | 2023 Sep 14; 79(Pt 10):910-915 |
| doi: | 10.1107/S2056989023007946 | ||
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