Redetermination of {2-[3-(dimethyl-ammonio)propyl-imino-meth-yl]phenol-ato}-dithio-cyanato-zinc(II).

ABSTRACT: In comparison with the previous refinement of the title complex, [Zn(NCS)(2)(C(12)H(18)N(2)O)], the present redetermination reveals a different location of the non-carbon attached H atom. Whereas in the previous refinement this H atom was modelled as part of a phenol OH group, the present study indicates a zwitterionic Schiff base ligand with a deprotonated OH group and a protonated tertiary amine group. The Zn(II) atom is four-coordinated by one O and one imine N atoms of the 2-[3-(dimethyl-ammonio)propyl-imino-meth-yl]phenolate Schiff base ligand, and by two N atoms from two thio-cyanate ligands, forming a distorted tetra-hedral geometry. In the crystal structure, adjacent mol-ecules are linked through inter-molecular N-H?O hydrogen bonds, forming a chain in the [101] direction.

SUBMITTER: Hong Z 

PROVIDER: S-EPMC2969054 | biostudies-literature | 2009 Mar

REPOSITORIES: biostudies-literature