Abstract
GRAPHICAL ABSTRACTFor the triclinic and monoclinic modifications of diastereomeric pinanyl sulfoxides co-crystal, remarkable alterations in unit cell parameters by transition from 293 to 150 К were ascertained. Such alterations are accompanied by conformational restructuring of a stable hydrogen-bonded synthon from an “unfolded” to a “folded” form. The driving force of this restructuring is the tendency to form S=O…S=O interactions, which show up in the low-temperature phases of both polymorphs. These are well-supported by the methods of quantum chemistry (DFT, B97-D/6-31G(d,p), AIM All).
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