Journal of Structural Chemistry

, Volume 59, Issue 7, pp 1658–1663 | Cite as

Molecular and Crystal Structure of 1-(4-Fluorophenyl)-1,4-Dihydro-1H-Tetrazole-5-Thione and Its Complex with Cadmium(II)

  • R. K. AskerovEmail author
  • A. M. Maharramov
  • V. K. Osmanov
  • E. V. Baranov
  • G. N. Borisova
  • P. V. Dorovatovskii
  • V. N. Khrustalev
  • A. V. Borisov


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.


1-(4-fluorophenyl)-1,4-dihydro-1H-tetrazole-5-thione cadmium(II) complex crystal structure secondary F…F interactions synchrotron radiation 


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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • R. K. Askerov
    • 1
    Email author
  • A. M. Maharramov
    • 1
  • V. K. Osmanov
    • 2
  • E. V. Baranov
    • 3
  • G. N. Borisova
    • 2
  • P. V. Dorovatovskii
    • 4
  • V. N. Khrustalev
    • 4
    • 5
  • A. V. Borisov
    • 2
  1. 1.Baku State UniversityBakuAzerbaijan
  2. 2.Alekseev Nizhny Novgorod State Technical UniversityNizhny NovgorodRussia
  3. 3.Razuvaev Institute of Organometallic ChemistryRussian Academy of SciencesNizhny NovgorodRussia
  4. 4.National Research Center “Kurchatov Institute”MoscowRussia
  5. 5.People’s Friendship University of RussiaMoscowRussia

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