Crystal and molecular structure of inner-chelatecis-1,7-dioxa-4,10-diazacyclododecane-4,10-diacetatocopper(II) dihydrate

cis-1,7-Dioxa-4,10-diazacyclododecane-4,10-diacetato-copper(II) dihydrate crystallizes in the monoclinic space groupP2₁/n witha=11.318(2),b=12.129(2),c=12.160(2) Å,=110.09(1)°, andZ=4. The structure was solved by the heavy-atom technique, followed by full-matrix least-squares refinement with anisotropic thermal parameters for non-H atoms. The Cu(II) atom is in a very distorted octahedral environment, with two nitrogen and two oxygen atoms located approximately coplanar with Cu(II), and the two remaining oxygen atoms in apical positions forming an angle of about 147° at Cu(II). The 12-membered ring has noncrystallographicmm2 symmetry. Two five-membered rings containing acetato groups are located in acis arrangement relative to the macrocyclic ring.