Synthesis and crystal structure of trans-di­aqua(1,4,8,11-tetra­aza­undeca­ne)copper(II) isophthalate monohydrate

In the title hydrated mol­ecular salt, [Cu(C(7)H(20)N(4))(H(2)O)(2)](C(8)H(4)O(4))·H(2)O, the metal ion is coordinated by the two primary and two secondary N atoms of the amine ligand and the mutually trans O atoms of the water mol­ecules in a tetra­gonally distorted octa­hedral geometry. The average equatorial Cu—N bond lengths (2.013 and 2.026 Å for Cu—N(prim) and Cu—N(sec), respectively) are substanti­ally shorter than the average axial Cu—O bond length (2.518 Å). The tetra­amine ligand adopts its energetically favored conformation with its five- and six-membered chelate rings in gauche and chair conformations, respectively. In the crystal, the N—H donor groups of the tetra­amine, the acceptor carboxyl­ate groups of the isophthalate dianion and both the coordinated water mol­ecules and the water mol­ecule of crystallization are involved in numerous N—H⋯O and O—H⋯O hydrogen bonds, resulting in the formation of electroneutral layers oriented parallel to the ac plane.