Crystal structure of [3,10-bis-(4-fluoro-pheneth-yl)-1,3,5,8,10,12-hexa-aza-cyclo-tetra-deca-ne]nickel(II) diperchlorate.

ABSTRACT: The square-planar nickel(II) title complex, [Ni(C₂₄H₃₆F₂N₆)](ClO₄)₂ or [NiL](ClO₄)₂ (L = 3,10-bis-(4-fluoro-pheneth-yl)-1,3,5,8,10,12-hexa-aza-cyclo-tetra-deca-ne) was synthesized by a one-pot reaction of template condensation and its X-ray crystal structure was determined. The nickel(II) ion lies close by a twofold axis and the complex displays whole-mol-ecule disorder. Ligand L, a hexa-aza-cyclo-tetra-decane ring having 4-fluoro-phenethyl side chains attached to uncoordinated nitro-gen atoms, adopts a trans III (R,R,S,S) configuration. The average Ni-N bond distance is 1.934?(9)?Å, which is quite similar to those of other nickel(II) complexes with similar ligands. The nickel(II) ion is located 0.051?(7)?Å above the least-squares plane through the four coordinated N atoms. The average C-N bond distance and C-N-C angle involving uncoordinated nitro-gen atoms are 1.425?(12)?Å and 118.0?(9)°, respectively, indicating a significant contribution of sp ² hybridization for these N atoms. The inter-molecular N-H?O, C-H?O/F hydrogen bonds of the complex form a network structure, which looks like a seamless floral lace pattern.

SUBMITTER: Kwak CH 

PROVIDER: S-EPMC7869553 | biostudies-literature | 2021 Feb

REPOSITORIES: biostudies-literature