Acta Crystallographica Section E: Crystallographic Communications, cilt.79, ss.910-915, 2023 (ESCI)
The overall molecular configuration of the title compound, C12H16N6OS2 C3H7NO, is stabilized in the solid state by intramolecular C-HN, C-HO, N-HN and N-HO interactions, forming S(5) ring motifs. In the crystal, molecules are linked to each other and solvent dimethylformamide molecules by N-HS, N-HO, C-HO and C-HS 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 HH (38.7%), SH / HS (24.0%), CH / HC (18.5%) and NH / HN (9.8%) interactions.