Bis (3-hydroximinobut-2-one thiosemicarbazone) nickel(II) chloride monohydrate – a complex with NiN4S2 chromophore: a crystallographic evidence of packing stabilisation by two kinds of four fold H-bonded chloride ions

Abstract

Bis (3-hydroximinobut-2-one thiosemicarbazone) nickel(II), C10H22Cl2N8NiO3S2, exhibits a considerably distorted octahedral NiN4S2 core with two tridentate ligands approximately oriented along their respective meridional planes, forming two fused five - membered rings while binding the Ni2+ ion. The complex crystallised as the monohydrate of its chloride, space group P21/a Z = 4, a = 15.907(3)Å, b = 7.135(2)Å, c = 19.380(3)Å, β= 102.55(2)0. The only intramolecular association in the structure constitutes an interligand oximino proton – oximino nitrogen interaction. Water molecules and chloride anions are found to occupy lattice cavities. The protons attached to the water molecules and the primary amine groups display bifurcated H-bonding interactions. The chloride ions are interactionally tetracoordinated, forming two kinds of extremely distorted H-bonding systems, one pyramidal and the other tetrahedral. Thus, the molecular packing is stabilised by a complicated interactional network.