Solvent Control in the Formation of Supramolecular Solvates of 2,4-Diamino-6-methyl-1,3,5-triazine with 5-Nitroisophthalic Acid

Crystal shapes can be affected by different solvents from sheet, rod, to block because they can enter into the crystal lattice and co-crystallize with the ligands from various instantaneous microenvironments. In this study, two new supramolecular solvates, formulated as [(C 8 H 4 NO 6 + )·(C 4 H 8 N 5 − )]·H 2 O ( 1 ) and [(C 8 H 3 NO 6 2+ )·(C 4 H 8 N 5 − ) 2 ]·CH 3 OH ( 2 ), were synthesized by the combination of 2,4-diamino-6-methyl-1,3,5-triazine (DAMT) and 5-nitroisophthalic acid (H 2 NIPA) from the solvent mixture of CH 3 COCH 3 –H 2 O/CH 3 OH–H 2 O, respectively. Interestingly, the structures of these two solvates contain both classical hydrogen bond N–H⋯O and heterosynthon R_2^2 (8). And due to the different solutions, the supramolecular aggregates led to different crystal structures and shapes. Structural analysis shows that the differences in the two solvate structures mainly attributed to the unique hydrogen bonding pattern between the dimers and solvents molecules. 1 and 2 were characterized by single crystal X-ray diffraction, element analysis, infrared radiation, and thermogravimetric analysis. Graphical abstract Two new supramolecular solvates were synthesized by the combination of 2,4-diamino-6-methyl-1,3,5-triazine (DAMT) and 5-nitroisophthalic acid (H 2 NIPA) from the solvent mixture of CH 3 COCH 3 –H 2 O/CH 3 OH–H 2 O.