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Systematic coformer contribution to cocrystal stabilization: energy and packing trends

Abstract

Polycyclic aromatic compounds such as acridine and phenazine are popular molecular partners used in cocrystal synthesis. The intermolecular interactions occurring between coformer and the molecular partner dominate the cocrystal packing energy, but coformer self-interactions might participate with a constance non-negligible contribution to the overall packing energy stabilization. Two new acridine-based cocrystals have been mechanochemically synthesized, then fully characterized via DSC and SCXRD analyses. A statistical analysis in the CSD has been performed to evaluate the recurrent π-π stacking orientation of the polycyclic coformer in all deposited acridine-based cocrystals, then extended to phanazine-base analogs. Packing Energy Calculation were performed on a selected cocrystals subset to quantify the contribution of the π-π interaction to the overall stabilization energy.

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Supplementary files

Article information


Submitted
27 Feb 2020
Accepted
26 Mar 2020
First published
26 Mar 2020

CrystEngComm, 2020, Accepted Manuscript
Article type
Paper

Systematic coformer contribution to cocrystal stabilization: energy and packing trends

P. P. Mazzeo, S. Canossa, C. Carraro, P. Pelagatti and A. Bacchi, CrystEngComm, 2020, Accepted Manuscript , DOI: 10.1039/D0CE00291G

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