Crystal structure of poly[[(acetato-?O){?3-N-[(pyridin-4-yl)meth-yl]pyrazine-2-carboxamidato-?(4) N:N (1),N (2):N (4)]copper(II)] dihydrate]: a metal-organic framework (MOF).

ABSTRACT: The title compound, [Cu(C11H9N4O)(CH3CO2)]·2H2O (CuL), is a hydrated copper acetate complex of the ligand N-[(pyridin-4-yl)meth-yl]pyrazine-2-carboxamide (HL). Complex CuL has a metal-organic framework (MOF) structure with a 10?(3) network topology. The ligand coordinates in a bidentate and a bis-monodentate manner, bridging three equivalent Cu(II) atoms via the pyridine N atom and the second pyrazine N atom. The Cu(II) atom has a fivefold coordination sphere, CuN4O, being coordinated to three N atoms of the ligand and the acetate O atom in the equatorial plane and to the second pyrazine atom in the apical position. This gives rise to a fairly regular square-pyramidal geometry. In the crystal, the water mol-ecules are linked to each other and to the three-dimensional framework via O-H?O hydrogen bonds. There are also a number of C-H?O hydrogen bonds present within the framework.

SUBMITTER: Cati DS 

PROVIDER: S-EPMC4120597 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature