The Structure and Properties of Fe(II) 1,10-Phenanthroline-Thiobarbiturate

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.

[1]  Артюхова Татьяна Юрьевна,et al.  Практика изучения проблем академической мобильности студентов (на примере Сибирского федерального университета) , 2019 .

[2]  J. Diedrichsen.  Tool , 2019, Encyclopedia of Evolutionary Psychological Science.

[3]  E. Collet,et al.  Spin Crossover Behavior in a Homologous Series of Iron(II) Complexes Based on Functionalized Bipyridyl Ligands. , 2018, Inorganic chemistry.

[4]  F. Shirini,et al.  Taurine as a green bio-organic catalyst for the preparation of bio-active barbituric and thiobarbituric acid derivatives in water media. , 2018, Bioorganic chemistry.

[5]  R. Berndt,et al.  Light-Induced Spin Crossover in an Fe(II) Low-Spin Complex Enabled by Surface Adsorption. , 2018, The journal of physical chemistry letters.

[6]  M. Molokeev,et al.  Structure of Hydrates of Metal Complexes with Barbituric Acids , 2017 .

[7]  V. Atuchin,et al.  Hydrates [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties , 2016 .

[8]  M. R. D. Silva,et al.  5-Isopropylbarbituric and 2-thiobarbituric acids: An experimental and computational study , 2016 .

[9]  Debdoot Hazari,et al.  Three manganese(II) coordination polymers with mixed donor ligands: synthesis, X-ray structures and luminescence properties , 2015, Transition Metal Chemistry.

[10]  M. Molokeev,et al.  Crystal structures of two barium 2-thiobarbiturate complexes , 2014, Journal of Structural Chemistry.

[11]  M. Molokeev,et al.  Crystal structures of cesium and rubidium 2-thiobarbiturates , 2014, Russian Journal of Inorganic Chemistry.

[12]  A. Pombeiro,et al.  Barbituric Acids as a Useful Tool for the Construction of Coordination and Supramolecular Compounds , 2014 .

[13]  Н. Н. Головнев,et al.  Кристаллическая структура 2-тиобарбитуратов цезия и рубидия , 2014 .

[14]  V. Atuchin,et al.  Calcium and strontium thiobarbiturates with discrete and polymeric structures , 2013 .

[15]  M. Molokeev,et al.  Bridging behaviour of the 2-thiobarbiturate anion in its complexes with Li(I) and Na(I). , 2013, Acta crystallographica. Section C, Crystal structure communications.

[16]  M. Molokeev,et al.  Crystal structure of potassium 2-thiobarbiturate , 2013, Journal of Structural Chemistry.

[17]  Jingping Wang,et al.  Hydrothermal syntheses, crystal structures of three new organic–inorganic hybrids constructed from Keggin-type [BW12O40]5− clusters and transition metal complexes , 2008 .

[18]  Wei Huang,et al.  Structural and spectroscopic characterizations of low-spin [Fe(4,4′-dimethyl-2,2′-bipyridine)3](NCS)2·3H2O prepared from high-spin iron(II) dithiocyanate tetrapyridine , 2006 .

[19]  A. Galibert,et al.  Diversity of the coordination modes of Croconate Violet. Crystal structures, spectroscopic characterization and redox studies of mono-, di- and poly-nuclear iron(II) complexes , 2003 .

[20]  E. Constable.  Homoleptic Complexes of 2,2′-Bipyridine , 1989 .