The synthesis and crystal structure of a new macrocyclic Ligand, BDBPH

A new dinucleating 24-membered hexaazadiphenol macrocyclic ligand, 3, 6, 9, 17, 20, 23-hexaaza-29, 30-dihydroxy-13, 27-dimethyl tricyclo[23, 3, 1, 1(1 1,15)]triaconta-1 (28),11, 13, 15 (30), 25, 26-hexaene(BDBPH), was synthesi zed by the NaBH4 reduction of the Schiff base obtained from the [2+2] conde nsation between diethylenetriamine and diformyl-p-cresol. The crystal struc ture of the hexahydrobromide salt of BDBPH, BDBPH.6HBr.4H(2)O, was determin ed by single crystal X-ray diffractometry. It crystallized in the monoclini c system, space group P2(1)/c, with a = 1.444 1(5) nm, b = 1.148 2(11) nm, c = 1.209 0(6) nm, alpha = 90 degrees, beta = 96.92 degrees, gamma = 90 deg rees, V = 1.990 0(4) nm(3) and Z = 2. The macrocyclic ligand adapts a chair conformation, the crystallographic inversion center is located in the macr ocyclic cavity, the six bromide ions and four water molecules are situated symmetrically outside the macrocyclic cavity. The new ligand with structura l characteristics can be used for the study on the stabilities and catalyti c properties of the corresponding metal complexes.