Synthesis, crystal structure and Hirshfeld surface analysis of (2Z,2′E)-2,2′-(3-methoxy-3-phenylpropane-1,2-diylidene)bis(hydrazine-1-carbothio-amide) dimethylformamide monosolvate

The overall molecular configuration of the title compound, C12H16N6OS2 center dot C3H7NO, is stabilized in the solid state by intramolecular C-H center dot center dot center dot N, C-H center dot center dot center dot O, N-H center dot center dot center dot N and N-H center dot center dot center dot O interactions, forming S(5) ring motifs. In the crystal, molecules are linked to each other and solvent dimethylformamide molecules by N-H center dot center dot center dot S, N-H center dot center dot center dot O, C-H center dot center dot center dot O and C-H center dot center dot center dot 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 0.57 (4):0.43 (4). A Hirshfeld surface analysis was performed to quantify the contributions of the different intermolecular interactions, indicating that the most important contributions to the crystal packing are from H center dot center dot center dot H (38.7%), S center dot center dot center dot H / H center dot center dot center dot S (24.0%), C center dot center dot center dot H / H center dot center dot center dot C (18.5%) and N center dot center dot center dot H / H center dot center dot center dot N (9.8%) interactions.

Automated summary

This study reveals the molecular configuration and crystal structure of the title compound, as well as the contributions of intermolecular interactions to the crystal packing.