Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-meth-oxy-phen-yl)picolinamide.

The synthesis, crystal structure, and Hirshfeld surface analysis of N-(4-meth-oxy-phen-yl)picolinamide (MPPA), C(13)H(12)N(2)O(2), are presented. MPPA crystallizes in the monoclinic space group P2(1)/n, with a single mol-ecule in the asymmetric unit. Structural analysis reveals that all non-hydrogen atoms are nearly coplanar, and the mol-ecule exhibits two intra-molecular hydrogen bonds that stabilize its conformation. Supra-molecular features include significant inter-molecular inter-actions, primarily C-H⋯π and various hydrogen bonds, contributing to the overall crystal cohesion, as confirmed by energy framework calculations yielding a total inter-action energy of -138.3†kJ†mol(-1). Hirshfeld surface analysis indicates that H⋯H inter-actions dominate, followed by C⋯H and O⋯H inter-actions, highlighting the role of van der Waals forces and hydrogen bonding in crystal packing.