TY - JOUR
T1 - Intermolecular interactions drive the unusual co-crystallization of different calix[4]arene conformations
AU - Taylor, Dominic
AU - Ling, Irene
AU - Vilela, Filipe
AU - Dalgarno, Scott J.
N1 - Funding Information:
Funding: This research was funded by the EPSRC, grant number EP/L016419/1.
Publisher Copyright:
© 2022 by the authors. Licensee MDPI, Basel, Switzerland.
PY - 2022/2
Y1 - 2022/2
N2 - 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 using1 H and13 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.
AB - 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 using1 H and13 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.
KW - Calix[4]quinone
KW - Conformation
KW - Crystal structure
UR - https://www.scopus.com/pages/publications/85124820978
U2 - 10.3390/cryst12020250
DO - 10.3390/cryst12020250
M3 - Article
AN - SCOPUS:85124820978
SN - 2073-4352
VL - 12
JO - Crystals
JF - Crystals
IS - 2
M1 - 250
ER -