Solvation of Calix[4]arene-bis-crown-6 Molecules

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Single crystal X-ray diffraction analyses of calix[4]arene-bis-crown-6 (1) and calix[4]arene-bis-benzocrown-6⋯1,2-dichloroethane (2) are reported. Thesestructures offer an opportunity to study the conformation of calix[4]arene-bis-crown-6 molecules in the absence of solvent, and when very weakly solvated. These structures exhibit different conformations of the crown ring, and limited flexibility of the calix[4]arene,but do not show solvent or crown inclusion in the calix[4]arene cavity. Comparisons to similar structures are made, and the implications for cesium binding are discussed.