ABSTRACT Refluxing equimolar quantities of pyrrole and 3,4,5‐trimethoxybenzaldehyde in propionic acid followed by overnight crystallization period procured us high quality single crystals of 5,10,15,20‐tetra‐(3,4,5‐trimethoxyphenyl) porphyrin , PT containing crystallized solvent, propionic acid in its lattice structure. The supramolecular structural analysis reveals offset packing arrangement of PT molecules with crystallized solvent occupying the interlayer cavities. PT molecules are interconnected via range of supra‐molecular interactions forming chain like architectures. The crystallized solvent and its dimer also links PT molecules via non‐covalent supramolecular interactions. The Hirshfeld surfaces (HSs) mapped using d norm , shape index, curvedness, and fragment patch plots revealed closer intermolecular contacts such as O⋯O, O⋯H/C⋯H, and H⋯H contacts, absence of π ⋯ π inter‐aromatic contacts as well as different coordination environment around the propionic acid solvate PT . The 2D fingerprint (FP) plots indicated ∼95% intermolecular contacts are contributed by H⋯H and O⋯H/C⋯H forces. The 1 H NMR and FT‐IR spectroscopies confirmed the successful preparation of solvated PT . The absorption spectra of PT measured in CHCl 3 reveals bathochromic shifts of absorption bands in comparison with the spectra measured in CH 3 OH. The absorption spectra further reveal J‐type aggregation of PT molecules in 1:1 binary mixtures of CHCl 3 and CH 3 OH.
Verma et al. (Mon,) studied this question.