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The stoichiometric reaction of N-(2-hydroxyethyl)-1,2-ethylenediamine-N,N,N′-triacetic acid [H 3 hedta = (HOCH 2 CH 2 )(HO 2 CCH 2 )NC 2 H 4 N(CH 2 CO 2 H) 2 )] and copper(II) hydroxy-carbonate in water yields crystalline samples of poly-{(N-(2-hydroxyethyl)-N′-carboxymethyl-1,2-ethylenediamine-N,N′-diacetato)copper(II) hydrate}, {[Cu(Hhedta)] · H 2 O} n  (I)-The compound was studied by TG analysis (with FT-IR study of the evolved gases), IR, electronic and ESR spectra, magnetic susceptibility data and single crystal X-ray diffraction methods. It crystallises in the orthorhombic system, space group Fdd2 (a = 21.906(2), b = 36.602(4), c = 6.928(1) Å, Z = 16, and final R 1  = 0.029 for 1554 independent reflections). The Cu(II) atom exhibits a very distorted octahedral coordination (type 4+1 + 1). The Hhedta ligand plays a N,N′,O,O′O″-pentadentate chelating role as well as a O,O′-carboxylate bridging one and has a free N-carboxymethyl arm. The bridging carboxylate group of the Hhedta ligand leads to polymeric chains {[Cu(Hhedta)] · H 2 O}n parallel the c axis. A hydrogen bonding network involves all O-H polar bonds (non-ionised carboxylic and alcoholic hydroxyl groups and water molecules). The structure reveals the preferred formation of a copper(II)-(N-2-hydroxyethyl-amino) or copper(II)-(ethanolamino) versus a copper(II)-(N-carboxymethylamino) chelate ring.

zeitschrift für naturforschung b

Synthesis, Structure and Properties of Poly &gt; [(N-(2-Hydroxyethyl)- N'-carboxymethyl-1,2-ethylenediamine-N, N'-Diacetato)copper(II) Hydrate], {[Cu(Hhedta)] · H 2 O } n