A 3D Hydrogen-bonded 2-Fold Interpenetrated Supramolecular Structure of Cyclen Derivative

摘要

The title compound 1,4,7,10-tetrakis(2-(4-methoxyphenoxy)ethyl)-1,4,7,10-tetraazacyclododecane hydrobromide derivated from cyclen has been synthesized by 4-methoxyphenol via two steps and characterized by ~1H NMR and X-ray single-crystal diffraction. The crystal belongs to the orthorhombic system, space group Pbcn with a = 17.3174(15), b = 12.9891(11), c = 19.3379(17) ?, V = 4349.8(7) ?3, Z = 4, Dc = 1.304 g/cm3, Mr = 853.87, F(000) = 1808, μ = 1.001 mm^(-1), Mo Ka radiation(λ = 0.71073 ?), R = 0.0467 and w R = 0.1045 for 2774 observed reflections with I > 2σ(I). X-ray structural analysis reveals that the molecular structure of the title compound is stabilized by intramolecular C–H···O and C–H···Br hydrogen-bonding interactions, and a 3D 2-fold interpenetrated supramolecular framework is constructed by intermolecular C–H···O and C–H···Br hydrogen-bonding interactions.