2-Amino-4,6-dimethylpyrimidine–sorbic acid (1/1)

Abstract

In the crystal of the title compound, C6H9N3·C6H8O2, the 2-amino-4,6-di­methyl­pyrimidine and sorbic acid mol­ecules are linked through N—H⋯O and O—H⋯N hydrogen bonds, which generate a cyclic bimolecular heterosynthon with an R 2 2(8) graph-set motif. Further, two inversion-related pyrimidine mol­ecules are base-paired via a pair of N—H⋯N hydrogen bonds, forming a cyclic bimolecular homosynthon with a graph-set of R 2 2(8). A discrete hetero tetra­meric supra­molecular unit along the b axis is formed by the fusion of two heterosynthons and one homosynthon. An aromatic π–π inter­action [centroid–centroid distance = 3.7945 (16) Å] is observed between these tetra­meric units.

XRD Studies, Spectral Characteristics, TGA and DFT of 2,4-Diamino-6-phenyl-1,3,5-triazine: Phenylthioacetic Acid Cocrystal

“…The supramolecular sheets in adjacent layer are further connected by two different C interactions [33,34]. These weak interactions occur between phenyl CH group (C11 and C15) (Fig.…”

“…High values of E HOMO are likely to denote the tendency of the molecule to donate electrons to acceptor molecules of lower energy MO. E LUMO , indicates the ability of the molecule to accept electrons [34]. The binding ability of the molecule increases with increasing HOMO and decreasing LUMO energy values.…”