Crystal structure of bis-[2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole-?(2) N (2),N (3)]bis-(thio-cyanato-?S)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-thia-diazole and potassium thio-cyanate with copper(II) chloride dihydrate. The copper cation lies on an inversion centre and displays an elongated octa-hedral coordination geometry. The equatorial positions are occupied by the N atoms of two 2,5-bis-(pyridin-2-yl)-1,3,4-thia-diazole ligands, whereas the axial positions are occupied by the S atoms of two thio-cyanate anions. The thia-diazole 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 ?-? inter-actions between parallel pyridyl rings of neighbouring mol-ecules [centroid-to-centroid distance = 3.663?(2)?Å], leading to a three-dimensional network.

SUBMITTER: Laachir A 

PROVIDER: S-EPMC4971866 | biostudies-other | 2016 Aug

REPOSITORIES: biostudies-other