Crystal structure of di-aqua-(3,14-diethyl-2,6,13,17-tetra-aza-tri-cyclo-[16.4.0.0^7,12]docosa-ne)copper(II) (3,14-diethyl-2,6,13,17-tetra-aza-tri-cyclo[16.4.0.0^7,12]docosa-ne)copper(II) tetra-bromide dihydrate, [Cu(C₂₂H₄₄N₄)(H₂O)₂][Cu(C₂₂H₄₄N₄)]Br₄·2H₂O.

ABSTRACT: The crystal structure of the new double Cu^II complex salt, [Cu(L)(H₂O)₂][Cu(L)]Br₄·2H₂O (L = 3,14-diethyl-2,6,13,17-tetra-aza-tri-cyclo-[16.4.0.0^7,12]docosane, C₂₂H₄₄N₄) has been determined using synchrotron radiation. The asymmetric unit contains one half of a [Cu(L)(H₂O)₂]²⁺ cation, one half of a [Cu(L)]²⁺ cation (both completed by crystallographic inversion symmetry), two bromide anions and one water solvent mol-ecule. The Cu^II atom in the first complex exists in a tetra-gonally distorted octa-hedral environment with the four N atoms of the macrocyclic ligand in equatorial and two aqua ligands in axial positions, whereas the Cu^II atom in the second complex exists in a square-planar environment defined by the four nitro-gen atoms of the macrocyclic ligand. The two macrocyclic rings adopt the most stable trans-III configuration with normal Cu-N bond lengths from 2.016 (3) to 2.055 (3) Å and an axial Cu-O bond length of 2.658 (4) Å. The crystal structure is stabilized by inter-molecular hydrogen bonds involving the macrocycle N-H or C-H groups and the O-H groups of water mol-ecules as donor groups, and the O atoms of water mol-ecules and bromide anions as acceptor groups, giving rise to a one-dimensional network extending parallel to [100].

SUBMITTER: Moon D 

PROVIDER: S-EPMC8183443 | biostudies-literature | 2021 Jun

REPOSITORIES: biostudies-literature