78894-73-2Relevant academic research and scientific papers
CONFORMATIONAL BEHAVIOUR AND INCLUSION COMPOUND FORMING PROPERTIES OF 5,18-DISUBSTITUTED DERIVATIVES OF 5,11,12,18-TETRAHYDROTRIBENZODIAZACYCLODODECINE-6,17-DIONE
Ollis, W. David,Stephanatou, Julia Stephanidou,Stoddart, J. Fraser,Unal, Gulten G.,Williams, David J.
, p. 2225 - 2228 (2007/10/02)
An X-ray structure analysis shows that the 5,18-dimethyl derivative (5) of the title compound (4) crystallises from xylene as a 1:1 inclusion compound in which the host molecules adopt propeller-like conformations (7 and 7*) with almost perfect C2 symmetry.Dynamic 1H n.m.r. spectroscopy shows that the 5,18-dibenzyl derivative (6) of (4) forms a 1:1 inclusion compound with ethanol in the solid state and undergoes ring inversion (7 7*) between enantiomeric propeller-like conformations in solution against a barrier of 21.1 kcal/mol.
