Crystal structure and Hirshfeld surface analysis of (E)-2-[2-(2-amino-1-cyano-2-oxoethylidene)hydrazin-1-yl]benzoic acid N,N-dimethylformamide monosolvate

In the title compound, C10H8N4O3 · C3H7NO, the asymmetric unit contains two crystallographically independent molecules A and B, each of which has one DMF solvate molecule. Molecules A and B both feature intramolecular N — H...O hydrogen bonds, forming S(6) ring motifs and consolidating the molecular configuration. In the crystal, N — H...O and O — H...O hydrogen bonds connect molecules A and B, forming R22(8) ring motifs. Weak C — H...O interactions link the molecules, forming layers parallel to the (\overline{2}12) plane. The DMF solvent molecules are also connected to the main molecules (A and B) by N — H...O hydrogen bonds. π – π stacking interactions [centroid-to-centroid distance = 3.8702   (17)   Å ] between the layers also increase the stability of the molecular structure in the third dimension. According to the Hirshfeld surface study, O...H/H...O interactions are the most significant contributors to the crystal packing (27.5% for molecule A and 25.1% for molecule B).

Source: Acta Crystallographica Section E - January 5, 2024 Category: Chemistry Authors: Hajiyeva, S.R. Huseynov, F.E. Atio ğ lu, Z. Akkurt, M. Bhattarai, A. Tags: crystal structure hydrogen bonds ring motifs π – stacking interactions Hirshfeld surface analysis research communications Source Type: research