Single-crystal-to-single-crystal transformation of the desolvation of a cyclotriveratrylene–acetonitrile inclusion complex via a gating mechanism with subsequent polymorphism

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A cyclotriveratrelyne–acetonitrile inclusion complex is shown to undergo a single-crystal-to-single-crystal transformation upon desolvation to an intermediate phase and it is furthermore demonstrated that the preparation conditions may introduce polymorphism of the apohost. We characterised the as-synthesized and desolvated polymorphs using single crystal (polymorph 1) and powder X-ray diffraction, thermal analysis and gas sorption. Successive data collections on the as-synthesized crystal at 50 °C show that the rotation of a single, unique methoxy group of the host molecule may allow evacuation of solvent molecules from the seemingly non-porous crystal.