Molecular and Crystal Structure of 1-(4-Fluorophenyl)-1,4-Dihydro-1<Emphasis Type="Italic">H</Emphasis>-Tetrazole-5-Thione and Its Complex with Cadmium(II) |
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| Authors: | R K Askerov A M Maharramov V K Osmanov E V Baranov G N Borisova P V Dorovatovskii V N Khrustalev A V Borisov |
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| Institution: | 1.Baku State University,Baku,Azerbaijan;2.Alekseev Nizhny Novgorod State Technical University,Nizhny Novgorod,Russia;3.Razuvaev Institute of Organometallic Chemistry,Russian Academy of Sciences,Nizhny Novgorod,Russia;4.National Research Center “Kurchatov Institute”,Moscow,Russia;5.People’s Friendship University of Russia,Moscow,Russia |
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| Abstract: | The molecular and crystal structures of 1-(4-fluorophenyl)-1,4-dihydro-1H-tetrazole-5-thione (I) and its complex with cadmium(II) (II) are studied by single crystal XRD. Free ligand I is thione; it has a nonplanar structure (the torsion angle between the tetrazole and benzene rings is 54.99(7)°) and forms H-bonded centrosymmetric dimers via two N–H…S hydrogen bonds in the crystal. The dimers contain a central planar eight-membered {S=C–N–H…S=C–N–H…} ring. Complex II has a chain structure with the composition (C7H4N4FS)2Cd]n. The environment of the Cd(II) atom consists of two nitrogen atoms and two sulfur atoms from four ligands I and represents a distorted tetrahedron. When complex II forms, ligand I converts into the thiol form. Infinite 1D chains contain eight-membered {←S=C–N–Cd←S=C–N–Cd} rings in a chair conformation. The chains in the crystal are arranged in layers parallel to the (101) plane due to secondary intermolecular F…F and π–π-stacking interactions. |
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