Structure, charge density, and Hirshfeld surface analysis of proton transfer complex 2‐amino‐4‐methylpyridinium 2‐(3‐methylphenyl)‐acetate

Abstract

AbstractThe compounds m‐Tolylacetic acid and 2‐amino‐4‐Picoline were used as a precursor to synthesize the molecular complex 2‐amino‐4‐methylpyridinium 2‐(3‐methylphenyl)‐acetate by means of proton transfer. High‐resolution X‐ray diffraction data were collected for the crystallized complex at 100 K. The structure was solved spherically and further an aspherical model refinement was performed using Hansen and Coppens multipole formalism. Topological properties using AIM analysis were carried out for the title compound to understand the atom–atom interactions and the strength of the bond. The structure exhibits interesting patterns of N–H…O and C–H…O hydrogen bonds. A pair of N–H…O hydrogen bonds links the anion and cation of the molecular complex generating an R22(8) ring motif. These ring motifs are linked to adjacent anions and cations through another intermolecular N–H…O hydrogen bond generating a bifurcated R22(8)ring motif. Hirshfeld surface analysis was carried out to understand the types of inter‐molecular interactions and their strengths.