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• W2022903060 abstract "The 2:2 macrocycle C22H30N6, containing pyridine and piperazine subunits, crystallizes in monoclinic space group C2c with a = 17.614(3), b = 9.696(2), c = 12.662(2) Å, β = 111.65(2)°, V = 2010(1) Å3, Z = 4. The structure was refined to R = 0.036 for 1863 observed reflections. The molecule lies on an inversion center, and the piperazine subunits have the chair conformation. Surprisingly, this macrocycle becomes diprotonated, and the Cu(II) is reduced to Cu(I) upon reaction with CuCl2 in methanol. The resulting Cu(I) complex of the diprotonated macrocyclic dication, [CUCl(C22H32N6)]Cl2·2H2O, crystallizes in monoclinic space group P21n with a = 10.745(1), b = 13.728(2), c = 17.774(2) Å , β = 98.08(1)°, V = 2596(1) Å3, Z = 4. The structure was refined to R = 0.058 for 3989 observed reflections. The Cu atom coordinates approximately linearly to one of the pyridine N atoms and a chloro ligand with CuN distance 1.947(3) Å, CuCl distance 2.133(1) Å, and NCuCl angle 164.5(1)°. While the piperazine subunits maintain their chair conformations, one N of each is protonated and turned outward. The unprotonated piperazine N atoms form long interactions of 2.488(4) and 2.508(4) Å, distance to the Cu atom." @default.
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• W2022903060 date "1996-05-01" @default.
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• W2022903060 title "The crystal structure of a macrocycle containing pyridine and piperazine subunits, and of a Cu(I) complex of its diprotonated cation" @default.
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• W2022903060 doi "https://doi.org/10.1016/0020-1693(96)05058-x" @default.
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