Abstract
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 1 H and 13 C 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.
Original language | English |
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Article number | 250 |
Journal | Crystals |
Volume | 12 |
Issue number | 2 |
DOIs | |
Publication status | Published - 12 Feb 2022 |
Keywords
- Calix[4]quinone
- Conformation
- Crystal structure
ASJC Scopus subject areas
- General Chemical Engineering
- General Materials Science
- Condensed Matter Physics
- Inorganic Chemistry