Preparation, structure and dimerization of molecular tweezer: Cyanuric acid core based flexible symmetric linked pthalimide moiety as a heteroaromatic system

•We have synthesised and proved the dimerization of molecular tweezer through consolidation with propylene as spacer in center with pthalimide heterocyclic ring as terminal molecules.•The dimer of this compound make it possible to design sensible supramolecular networks through π···π stacking, CH···π and van der Waals interactions.•In the solid state the crystal structure of this compound exhibited the folded tweezer conformation.•The energy of optimization obtained by the computational studies in gaseous state explained that solid state geometry for this compound was not the most stable geometry. Here, we synthesize tripodal tweezer molecule which have cyanuric acid in the center, propylene as a linker and pthalimide hetrocycle as terminal for conformational applications. The propylene linker promote intramolecular and intermolecular interactions within and encircle molecules. Appropriately, the geometrical specification set for the molecules which must be concert about conformations in different states. The conformational studies of this tripodal compound has been carried by X-ray crystallography. Evaluation of conformational stability in different conformation through theoretical calculations has been done.