Chemistry, Vol 13, No 4 (2020)

The structure and properties of Fe(II) 2-thiobarbiturate-2,2’-dipyridyl

Nicolay Nicolaevich Golovnev, Maxim Sergeyevich Molokeev, Irina Vladimirovna Sterkhova, Anastasia Vadimovna Demina

Abstract


The structure of the mononuclear complex [Fe(Bipy)(H2O)2(Htba)2]∙6H2O (I), where Bipy - 2,2'-dipyridine, H2tba  - 2-thiobarbituric acid (C4H4N2O2S), was determined by single crystal X-ray diffraction technique (cif-file CCDC No. 1831367). Crystals I are rhombic: a = 17.4697 (7), b = 11.7738 (4), c = 13.4314 (5) Å, V = 2762.6(2) Å3, space group Pnma, Z = 4. Two nitrogen atoms of the Bipy molecule and two water molecules are located in the equatorial plane of the octahedral complex, and two S-coordinated Htba- ions the axial positions are occupied. The structure is stabilized by N-H∙∙∙O, O-H∙∙∙O, С-H∙∙∙O, C-H∙∙∙S intermolecular hydrogen bonds and π-π interaction between Bipy and Htba-. The compound is characterized by the methods of powder X-ray diffraction, thermal analysis, and IR spectroscopy.