Abstract
Synthesis and crystal structure analysis of meso-tetratolylporphyrins, 1–5 combined with computational Hirshfeld surface analysis were investigated. The crystal packing of porphyrins 1, 3 and 4 are arranged in an “orthogonal fashion” whereas 2 and 5 are in a “slip-stack or off-set fashion” through various intermolecular interactions. Compound 2 exhibits saddle geometry whereas 5 showed a domed geometry as evident from the single crystal X-ray diffraction studies. The enhancement of non-planarity in 2 is probably due to the presence of numerous intermolecular interactions caused by the presence of trifluoroacetate anions on both faces of the porphyrin in addition to the bulky bromine groups at the [Formula: see text]-pyrrole positions. In 5, the non-planarity is merely due to the metal coordination at the porphyrin core as pentacoordinated Mn[Formula: see text] center with a chloro ligand in the axial position. Hirshfeld surface analysis was performed in order to analyze the various intermolecular interactions present in these porphyrins and the result was discussed.
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