Intermolecular Interactions Drive the Unusual Co-Crystallization of Different Calix[4]arene Conformations

Autor: Dominic Taylor, Irene Ling, Filipe Vilela, Scott J. Dalgarno
Jazyk: angličtina
Rok vydání: 2022
Předmět:
Zdroj: Crystals, Vol 12, Iss 2, p 250 (2022)
Druh dokumentu: article
ISSN: 2073-4352
DOI: 10.3390/cryst12020250
Popis: Crystallization of 5,17-dibromo-11,27,23,25-tetraone-26,28-dipropoxycalix[4]arene results in the rare observation of two different calix[4]arene conformations (partial cone and 1,3-alternate) co-crystallized within the same single crystal X-ray structure. Analysis using 1H and 13C NMR spectroscopy revealed that only a single conformation (the cone) was present in solution, and in contrast to the structures of other reported calix[4]arenes and calix[4]quinones, both conformations of the compound present in this crystal structure have a “pinched” shape, drastically reducing Br-Br separation and associated cavity sizes.
Databáze: Directory of Open Access Journals