Crystal structure of poly[[(acetato-κO){μ3-N-[(pyridin-4-yl)methyl]pyrazine-2-carboxamidato-κ4N:N1,N2:N4]copper(II)] dihydrate]: a metal–organic framework (MOF)

Acta Crystallographica Section E

卷:70

Dilovan S. Cati¹  Helen Stoeckli-Evans² 

[1] Debiopharm International S.A., Chemin Messidor 5-7, CP 5911, 1002 Lausanne, Switzerland;

[2] Institute of Physics, University of Neuchâtel, rue Emile-Argand 11, CH-2000 Neuchâtel, Switzerland;

关键词: crystal structure;    metal-organic framework;    10 (3) network topology;    copper(II);    pyrazine-2-carboxamide;   

DOI  :  10.1107/S1600536814011520

来源: DOAJ

【 摘 要 】

The title compound, [Cu(C11H9N4O)(CH3CO2)]·2H2O (CuL), is a hydrated copper acetate complex of the ligand N-[(pyridin-4-yl)methyl]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 CuII atoms via the pyridine N atom and the second pyrazine N atom. The CuII 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 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.

【 授权许可】

Unknown