X-ray structural insights and computational analysis of the compound 5-ethyl-4-[(4-morpholino­benzylidene)amino]-2,4-di­hydro-3H-1,2,4-triazole-3-thione

Abstract

The mol­ecule of the title compound adopts a non-planar geometry. A significant feature is the puckered six-membered morpholine ring, which adopts a chair conformation. In the crystal, mol­ecules are linked through inter­molecular N—H⋯S hydrogen bonds, forming inversion-related dimers with an R²₂(8) ring motif.

The title compound, C₁₅H₁₉N₅OS, crystallizes in the monoclinic crystal system, space group P2₁/c. The mol­ecule adopts a non-planar geometry. A significant feature of the structure is the puckered six-membered morpholine ring, which adopts a chair conformation. In the crystal, mol­ecules are linked through inter­molecular N—H⋯S hydrogen bonds, forming inversion-related dimers with an R²₂(8) ring motif. A Hirshfeld surface analysis was undertaken to qu­antify the inter­molecular inter­actions that influence the crystal packing.