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

Golovnev, N. N.; Molokeev, M. S.; Sterkhova, I. V.; Lesnikov, M. K.; Samoilo, A. S. Source: JOURNAL OF STRUCTURAL CHEMISTRY, 60 (1):111-116; 10.1134/S0022476619010153 JAN 2019

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.