Complexation of Ethanol by a Helical Tubuland Diol Host

摘要: The cage compound 4,7-dimethylpentacyclo[6.3.0.02,6.03,10.05,9]undecane-anti-4,anti-7-diol 3 and its 4,7-bis(d3-methyl) derivative 4 form 1:1 cocrystalline complexes with ethanol instead of the expected helical tubulate inclusion compounds. X-ray crystal structure (4)·(ethanol) [(C13H12D6O2)·(C2H6O), Cmca, a 19.049(2), b 14.932(2), c 10.117(1) A, Z 8, R 0.061] shows that key supramolecular synthon is hydrogen-bonded (O — H)6 cycle hydroxy groups constructed from two ethanols (in ring positions 1 4) four diols. This uncommon centrosymmetric motif permits efficient lattice packing both diol enantiomers into layers without requiring self-resolution would be mandatory in forming structure.