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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Original Russian Text © 2018 R. K. Askerov, A. M. Maharramov, V. K. Osmanov, E. V. Baranov, G. N. Borisova, P. V. Dorovatovskii, V. N. Khrustalev, A. V. Borisov.
Translated from Zhurnal Strukturnoi Khimii, Vol. 59, No. 7, pp. 1717–1722, September-October, 2018.
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Askerov, R.K., Maharramov, A.M., Osmanov, V.K. et al. Molecular and Crystal Structure of 1-(4-Fluorophenyl)-1,4-Dihydro-1H-Tetrazole-5-Thione and Its Complex with Cadmium(II). J Struct Chem 59, 1658–1663 (2018). https://doi.org/10.1134/S0022476618070193
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DOI: https://doi.org/10.1134/S0022476618070193