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

Abstract

The title compound, a hydrated copper acetate complex of the ligand N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamide, has a metal-organic framework (MOF) structure with a 10 (3) network topology. The water molecules are located in the cavities of the framework and linked to it by O—H⋯O hydrogen bonds.

Abstract

The title compound, [Cu(C ₁₁H ₉N ₄O)(CH ₃CO ₂)]·2H ₂O (Cu L), is a hydrated copper acetate complex of the ligand N-[(pyridin-4-yl)meth­yl]pyrazine-2-carboxamide (H L). Complex Cu L 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, CuN ₄O, 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 mol­ecules 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.