Synthesis and crystal structure of trans-di-aqua(1,4,8,11-tetra-aza-undeca-ne)copper(II) isophthalate monohydrate.

ABSTRACT: In the title hydrated mol-ecular salt, [Cu(C₇H₂₀N₄)(H₂O)₂](C₈H₄O₄)·H₂O, 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 mol-ecules in a tetra-gonally distorted octa-hedral geometry. The average equatorial Cu-N bond lengths (2.013 and 2.026 Å for Cu-N_prim and Cu-N_sec, respectively) are substanti-ally shorter than the average axial Cu-O bond length (2.518 Å). The tetra-amine 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 tetra-amine, the acceptor carboxyl-ate groups of the isophthalate dianion and both the coordinated water mol-ecules and the water mol-ecule 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.

SUBMITTER: Tsymbal LV 

PROVIDER: S-EPMC9361364 | biostudies-literature | 2022 Aug

REPOSITORIES: biostudies-literature