Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2 N 2,N 3]bis(thiocyanato-κS)copper(II)

Abstract

The mononuclear title complex, [Cu(SCN)2(C12H8N4S)2], was obtained by the reaction of 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole and potassium thiocyanate with copper(II) chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octahedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole ligands, whereas the axial positions are occupied by the S atoms of two thiocyanate anions. The thiadiazole and the pyridyl rings linked to the metal are approximately coplanar, with a maximum deviation from the mean plane of 0.190(2)Å. The cohesion of the crystal structure is ensured by weak C - H···N hydrogen bonds and π-π interactions between parallel pyridyl rings of neighbouring molecules [centroid-to-centroid distance = 3.663(2)Å], leading to a three-dimensional network.