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

Abstract

The overall molecular configuration of the title compound, C12H16N6OS2·C3H7NO, is stabilized in the solid state by intramolecular C—H...N, C—H...O, N—H...N and N—H...O interactions, forming S(5) ring motifs. In the crystal, molecules are linked to each other and solvent dimethylformamide molecules by N—H...S, N—H...O, C—H...O and C—H...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...H (38.7%), S...H / H...S (24.0%), C...H / H...C (18.5%) and N...H / H...N (9.8%) interactions.

Keywords

• crystal structure
• disorder
• hydrogen bonds
• hirshfeld surface analysis
• α-chloroketone
• chlorooxirane
• bisthiosemicarbazone