A novel molecule tetra-N-alkylation of cyclen (1,4,7,10-tetraazacyclododecane), 1,4,7,10-tetrakis(2-((4-hydroxy)phenoxy)ethyl)-1,4,7,10-tetraazacyclododecane 2, was synthesized and structurally characterized by single-crystal X-ray diffraction. The molecule turned into chiral helical compound crystals grown from EtOH by slow diffusion at room temperature and three of the four hydroquinone groups of the benzene ring formed a π-electron-rich cavity by C–H···π stacking interaction. The crystal belongs to the monoclinic system, space group P21/c with a = 13.9192(9), b = 13.2871(6), c = 22.1894(15) , β = 91.4600(10)o, V = 4102.5(4) 3, Z = 4, Dc = 1.219 g/cm3, C40H52N4O8, Mr = 752.89, F(000) = 1616, μ = 0.088 mm-1, MoKa radiation (λ = 0.71073), R = 0.0578 and wR = 0.1389 for 5588 observed reflections with I > 2σ(I) . Moreover, compound 2 was characterized with 1H NMR, 13C NMR, IR spectra and MS.
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