Structure of bis(2-Thiobarbiturate)Tris (2,2-Bipyridyl)Nickel(II) Hexahydrate

Abstract

The [Ni(Bipy)₃](Htba)₂·6H₂O (I) complex (Bipy is 2,2′-bipyridyl, H₂tba is 2-thiobarbituric acid) is synthesized and its structure is determined by single crystal XRD (cif-file CCDC No. 1836529). The crystals of I are monoclinic: a = 13.6618(6) Å, b = 23.9441(9) Å, c = 25.4335(8) Å, β = 93.091(1)°, V = 8307.7(5), space group P2₁/c, Z = 8. Via multiple intermolecular N–H⋯O, O–H⋯O, and C–H⋯S hydrogen bonds (HBs), the Htba⁻ ions and water molecules form channels within which [Ni(Bipy)₃]²⁺ cations are located. The Bipy molecules and the Htba⁻ ions are involved in C–H⋯O HBs and the π−π interaction. The results of the thermal analysis and IR spectroscopy agree with the single crystal XRD data.