Exploring non-covalent interactions in binary aromatic complexes.

ABSTRACT: Crystal structure prediction for systems governed by weak non-covalent interactions remain a significant challenge due to the complex energy landscapes involved. Herein, we have experimentally investigated the impact of systematic halogen substitution in fluorinated aromatic co-formers on the formation, structure, and phase behaviour of donor-acceptor adducts and co-crystals with p-xylene (p-C₆H₄Me₂). Using a combined approach of differential scanning calorimetry (DSC), variable-temperature powder X-ray diffraction (VT-PXRD), and single-crystal X-ray diffraction (SXD), we have characterized a series of co-crystals formed by p-C₆H₄Me₂ with C₆F₅X (X = Cl, Br, I) and p-C_6</

SUBMITTER: Bear JC 

PROVIDER: S-EPMC12691248 | biostudies-literature | 2026 Jan

REPOSITORIES: biostudies-literature