C–H· π Interaction and N·H–O Hydrogen Bonding in the Chair-like p-tert-Butylcalix[8]arene Complex Including Four Pyridine Molecules

Abstract

Crystal structure analysis shows that the p-tert-butylcalix[8]arene host and its four pyridine guests sit around an inversion center in the P21/c crystal lattice. The monoclinic cell parameters and its volume are: a = 19.617(4), b = 9.912(2), c = 25.178(5) Β, β = 101.03(3)°, V =4805.27(17) Β3. For Z = 2 and Mw = 1614.18, the calculated density Dcalc = 1.116 g/cm3. A host calixarene molecule includes four pyridine guests in two different ways: by hydrogen bonding and by possible C–H· π interaction between the molecules. The hydrogen bonding drives the host macrocycle into a chair-like conformation.