Crystal structure of di-chlorido-(2,2':6',2''-terpyridine-?(3) N,N',N'')zinc: a redeter-min-ation.

ABSTRACT: The crystal structure of the title compound, [ZnCl2(C15H11N3)], was redetermined based on modern CCD data. In comparison with the previous determination from photographic film data [Corbridge & Cox (1956 ?). J. Chem. Soc. 159, 594-603; Einstein & Penfold (1966 ?). Acta Cryst. 20, 924-926], all non-H atoms were refined with anisotropic displacement parameters, leading to a much higher precision in terms of bond lengths and angles [e.g. Zn-Cl = 2.2684?(8) and 2.2883?(11) compared to 2.25?(1) and 2.27?(1)?Å]. In the title mol-ecule, the Zn(II) atom is five-coordinated in a distorted square-pyramidal mode by two Cl atoms and by the three N atoms from the 2,2':6',2''-terpyridine ligand. The latter is not planar and shows dihedral angles between the least-squares planes of the central pyridine ring and the terminal rings of 3.18?(8) and 6.36?(9)°. The mol-ecules in the crystal structure pack with ?-? inter-actions [centroid-centroid distance = 3.655?(2)?Å] between pyridine rings of neighbouring terpyridine moieties. These, together with inter-molecular C-H?Cl inter-actions, stablize the three-dimensional structure.

SUBMITTER: Kong CC 

PROVIDER: S-EPMC4257341 | biostudies-literature | 2014 Nov

REPOSITORIES: biostudies-literature