Synthesis of a rare 3D copper cyanide compound based on 3-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)pyridine via the transformation of acetonitrile to inorganic cyanide

• A rare copper cyanide coordination polymer has been hydrothermally synthesized.
• A ({6.8.10}2{6.8^3.10^2}) topology in 1 is created.
• The existence of a cyanide group in compound 1 may be due to the decomposition of acetonitrile.
• The optical and catalytic properties have been investigated.

One-pot solvothermal treatments of acetonitrile, water, LiOH, Cu(CH3COO)2·H2O and 3-(5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl)pyridine (HL) yielded a rare copper cyanide coordination polymer, [Cu2(L) (CN)]n (1). The existence of a cyanide group in compound 1 may be due to the decomposition of acetonitrile at the relatively high temperature (160 °C) and autogenous pressure of the reaction. Compound 1 has been characterized by single-crystal X-ray diffraction, XRPD, IR, and elemental analysis. Compound 1 is a 3D copper cyanide coordination polymer, and a ({6.8.10}2{6.8^3.10^2}) topology in 1 is created. In addition, the optical and catalytic properties have been investigated.