Synthesis, Crystal Structure, FT-IR Spectral Studies and Hirshfeld Surface Analysis of 3-Amino-5,6-dimethyl-1,2,4-triazine/3-Amino-5,6-dimethyl-1,2,4-triazinium-2 2-hydroxybenzoate and 3-Amino-5,6-dimethyl-1,2,4-triazinium-2 hydrogen phthalate

Abstract

The title molecular salts (C₅H₉N\(_{4}^{ + }\))(C₅H₈N₄)(C₇H₅O\(_{3}^{ - }\)) (I) and (C₅H₉N\(_{4}^{ + }\))(C₈H₅O\(_{4}^{ - }\)) (II) have been synthesized and characterized by single crystal X-ray diffraction, FT-IR and Hirshfeld surface analysis. I crystallizes in monoclinic system, sp. gr. P2₁/c, Z = 4. II crystallizes in triclinic system, sp. gr. P\(\bar {1}\), Z = 2. Both crystal structures are stabilized by N–H···O, N–H···N, O–H···O hydrogen bonds and weak π–π stacking interactions and form a ring motifs (\(R_{2}^{2}\)(8)) containing N⁺–H···O^– charge-assisted hydrogen bonds. FT-IR spectra confirm the presence of the functional groups in the synthesized compounds. Hirshfeld surface analysis was employed in order to study intermolecular interactions.