title: Crystal structure of poly[[(acetato-κO){μ3-N-[(pyridin-4-yl)meth-yl]pyrazine-2-carboxamidato-κ(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.
authors.affiliation: Debiopharm International S.A., Chemin Messidor 5-7, CP 5911, 1002 Lausanne, Switzerland.
authors.forename: Dilovan S
authors.initials: DS
authors.lastname: Cati
authors.affiliation: Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland.
authors.forename: Helen
authors.initials: H
authors.lastname: Stoeckli-Evans
keywords: 10 (3) network topology; copper(II); crystal structure; metal-organic framework; pyrazine-2-carboxamide