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Temperature- and Solvent-Induced Crystal-Form Transformations of the Pyridine@p-tert-butylcalix[6]arene Host–Guest System

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dc.abstract.enCrystallization conditions for producing crystal structures of p-tert-butylcalix-[6]arene (TBC6) with different conformations were screened. Molecular recognition and self-assembly between the TBC6 host and the guest pyridine led to kinetic trapping and crystallization of intermediate exclusion complexes. These complexes were characterized by single-crystal X-ray diffraction, which revealed that the first-formed crystals are 11:2 polymorphic association complexes with winged-cone host conformations. The crystalline kinetic complex undergoes slow spontaneous dissolution and subsequently recrystallizes as thermodynamic inclusion complexes, namely a 1:3 pseudopolymorphic and three 1:1 polymorphic pyridine@TBC6 complexes. The crystal structure of the host−guest system can be tuned by changing the temperature and supersaturation conditions. Interaction energies were used to generate intermolecular interaction topologies during energy framework analysis, which were used to study the hierarchies of various interactional motifs and their topologies in this series of TBC6 complexes.
dc.affiliationUniwersytet Warszawski
dc.contributor.authorMalińska, Maura
dc.date.accessioned2024-01-26T09:42:27Z
dc.date.available2024-01-26T09:42:27Z
dc.date.copyright2021-01-25
dc.date.issued2021
dc.description.accesstimeAT_PUBLICATION
dc.description.financePublikacja bezkosztowa
dc.description.number2
dc.description.versionFINAL_PUBLISHED
dc.description.volume21
dc.identifier.doi10.1021/ACS.CGD.0C01422
dc.identifier.issn1528-7483
dc.identifier.urihttps://repozytorium.uw.edu.pl//handle/item/121646
dc.identifier.weblinkhttp://pubs.acs.org/doi/pdf/10.1021/acs.cgd.0c01422
dc.languageeng
dc.pbn.affiliationchemical sciences
dc.relation.ispartofCrystal Growth & Design
dc.relation.pages1103-1112
dc.rightsCC-BY
dc.sciencecloudnosend
dc.titleTemperature- and Solvent-Induced Crystal-Form Transformations of the Pyridine@p-tert-butylcalix[6]arene Host–Guest System
dc.typeJournalArticle
dspace.entity.typePublication