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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/229834
Polymorphism in the 1/1 Pterostilbene/Picolinic Acid Cocrystal
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The crystal structures of two new polymorphs of the 1/1 pterostilbene/picolinic acid cocrystal have been analyzed by single-crystal X-ray diffraction and studied by means of DFT calculations and a set of computational tools (QTAIM, NCIplot, MEP). The observation of a new R22(10) synthon in each of the two polymorphs has been analyzed energetically, characterized using the topology of the electron density, and rationalized using the MEP surfaces. The exceptional bioavailability of the cocrystal is explained on the basis of BFDH morphology calculations, and the study is complemented by a deep analysis of the supramolecular synthons formed by both neutral and zwitterionic forms of picolinic acid, a versatile coformer for crystal engineering.
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BARBAS CAÑERO, Rafael, et al. Polymorphism in the 1/1 Pterostilbene/Picolinic Acid Cocrystal. Crystal Growth & Design. 2022. Vol. 22, num. 1, pags. 590-597. ISSN 1528-7483. [consulted: 26 of July of 2026]. Available at: https://hdl.handle.net/2445/229834