While cocrystallization remains an important tool for the development of functional materials, strategies for design and formation of more complex and higher order cocrystals are still a work in progress. Cocrystal formation relies on the assembly of the constituent molecules via noncovalent interactions to give arise a lattice composed of two or more different molecules. The challenge in forming higher order cocrystals lies in balancing the increasing possible noncovalent interactions between the components. Herein we report the supramolecular construction of a ternary cocrystal involving resveratrol (resv), a nutraceutical, and 5-fluorouracil (5-fu), an important anticancer agent, with trans-bis(4-pyridyl)ethylene (bpe). Additionally, we discovered a polymorph of binary 4(5-fu)-(bpe) that exhibits rare supramolecular isomerism based on a subtle difference in the hydrogen bonding pattern. Collectively, our work provides insight into the construction of higher order cocrystals.

Supramolecular construction of a ternary cocrystal composed of resveratrol and 5-fluorouracil

ACS Spring Meeting 2021

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