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

被引:0
作者
R. K. Askerov
A. M. Maharramov
V. K. Osmanov
E. V. Baranov
G. N. Borisova
P. V. Dorovatovskii
V. N. Khrustalev
A. V. Borisov
机构
[1] Baku State University,Razuvaev Institute of Organometallic Chemistry
[2] Alekseev Nizhny Novgorod State Technical University,undefined
[3] Russian Academy of Sciences,undefined
[4] National Research Center “Kurchatov Institute”,undefined
[5] People’s Friendship University of Russia,undefined
来源
Journal of Structural Chemistry | 2018年 / 59卷
关键词
1-(4-fluorophenyl)-1,4-dihydro-1; -tetrazole-5-thione; cadmium(II) complex; crystal structure; secondary F…F interactions; synchrotron radiation;
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摘要
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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页码:1658 / 1663
页数:5
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