Preparation, crystallographic feature, synthon investigation and Hirshfeld surface analysis of both 3D supramolecular anhydrous organic salts constructed by triphenylmethylamine, 3-nitrophthalic acid and 5-nitroisophthalic acid

Abstract

The complex role of the non-covalent contacts in a wide kind of areas ranging from chemistry, biology, catalysis, material science, to medicinal chemistry has aroused a continuous motivation towards the discovery of new synthons that build the supramolecular systems. In this job, the co-crystallization between triphenylmethylamine, 3-nitrophthalic acid, and its position isomer 5-nitroisophthalic acid resulted in the manufacturing of two new anhydrous crystalline salts, which were further fully characterized via the single crystal X-ray diffraction (SCXRD) in detail, spectroscopic (FT-IR) and elemental analysis methods. Their melting points were also measured. Both the fabricated salts exhibited the identical M stoichiometry of 1:1 ratio, forming the hydrogenphthalate salt. In both the salts, the respective molecular fragments are permanently tethered with each other via the energetic hydrogen bonds as the N_{triphenylmethylaminium}-O_carboxylate type. The other extensive non-covalent associates of CH-O, CH-π, π-π, CH-CH, and O-π also act great functions in the space extension in the relevant conglomerates. Analysis by the Hirshfeld surface affords extra insights into the prevalence of the various short contacts in the crystal structure. The synthons R₁²(7), R₂¹(7), R₂²(7), R₂²(9), R₃²(8), R₃²(12), R₃³(10), R₃³(13), and R₄²(8) were noted at the salts. For the combination of the classical hydrogen bonds plus the various non-covalent contacts, both salts took the 3D net graphs.