Syntheses, structures and properties of a new compound of the type [Zn(4,4′-dmo-2,2′-bpy)2(CH3COO)]2[Zn(SCN)4]·H2O with zinc in two cationic and one anionic complexes

Abstract

A new compound of zinc(II) with the ligand 4,4 -dimethoxy-2,2 -bipyridine(4,4 -dmo-2,2 -bpy), [Zn(4,2bpy) has been obtained as white single crystals by the branched tube method and characterized by elemental analysis, IR and 1 H NMR spectroscopy and by X-ray crystallography. Thermal and electrochemical properties were also studied. The crystal structure consits of two discrete [Zn(4,4 -dmo-2,2 -bpy) 2 (CH 3 COO)] + cations and a [Zn(SCN) 4 ] 2− anion. Zinc(II) cations in the [Zn(4,4 -dmo-2,2 -bpy) 2 (CH 3 COO)] + units have a distorted octahedral surrounding by ZnN 4 O 2 coordinated through four N atoms of 4,4 -dmo-2,2 -bpy and two O atoms of acetate. Zinc(II) in [Zn(SCN) 4 ] 2− has a distorted tetrahedral coordination environment with an ZnN 4 ligated by four N atoms of the terminal thiocyanates. In the solid state, [Zn(4,4 -dmo-2,2 -bpy)(CH 3 COO)] + cations are interconnected by tetrahedral [Zn(NCS) 4 ] 2− units by cooperative C-H•••O, C-H•••S, C-H•••N and π-π stacking interactions resulting in a 2D network structure. Establishment of such networks seems to be aiding the crystallization.

Supramolecular hydrogen-bonding patterns in the organic–inorganic hybrid compound bis(4-amino-5-chloro-2,6-dimethylpyrimidinium) tetrathiocyanatozinc(II)–4-amino-5-chloro-2,6-dimethylpyrimidine–water (1/2/2)

“…The thiocyanate ligands are almost linear [N1-C1-S1 = 177.7 (2) and N2-C2-S2 = 178.4 (2) ]. These values are in good agreement with those found in other zinc thiocyanate crystal structures (Petrusenko et al, 1997;Balasubramani et al, 2011;Wrzeszcz et al, 2015;Shirdel et al, 2015). Pyrimidinium cation A is protonated at ring atom N1A, which is evident from the increase of the internal angle at N1A [C2A-N1A-C6A = 122.56 18].…”