Search

New complex compounds [Cd(μ-L1)2]n (I), [Cd(μ-L2)(μ-Cl)(μ-DMSO)]n (III), and [Cd2(μ-L2)(μ-Cl)3(μ-DMSO)DMSO/EtOH]n (IV) are synthesized by the reactions of 1-(4-methoxyphenyl)-1,4-dihydro-5H-tetrazole-5-thione (HL1) and 1-(2-methoxyphenyl)-1,4-dihydro-5H-tetrazole-5-thione (HL2) with cadmium chloride. The molecular and crystal structures of the complexes are determined by X-ray structure analysis (CIF files CCDC nos. 1993455 (I), 1869249 (III), and 1993497 (IV)). Complexes I, III, and IV have uniform polymeric structures. The О···Н, Cl···H, and C···S contacts are observed between 1D polymeric chains in the crystal cells of complexes I, III, and IV. Complexes III and IV contain DMSO molecules. Under other equivalent conditions, the reaction of HL1 or HL2 with cadmium chloride in ethanol affords complex I or II of different compositions. Complex II contains the chlorine atom as found by scanning electron microscopy, whereas no chlorine is observed in complex I according to the X-ray structure analysis data.

Three new organoselenium compounds are synthesized: N-phenyl-2-(2-thienylacetyl)hydrazinecarboselenoamide (I), 4-phenyl-5-(2-thienylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-selone (II), and 3,3'-di[4-phenyl-5-(2-thienylmethyl)-4H-1,2,4-triazolyl] diselenide (III). Two of them (compounds II and III) are characterized by X-ray diffraction analysis (CIF files CCDC nos. 1956602 (II) and 1956603 (III)). Compound II crystallizes in the monoclinic crystal system (space group P21/n) with two crystallographically independent molecules A and B being different conformers relative to rotation about the NTrz–CTrz–C(H2)–CTph bond, where Trz is triazole and Tph is thiophene (gauche-A (51.4(3)°) and cis-B (4.2(4)°)). In the crystal of compound II, molecules A and B form chains along the crystallographic axis a due to strong hydrogen bonds N–H···Se. Then the chains are bound into a three-dimensional framework via intermolecular nonvalent interactions Se···S (3.3857(11) A). Owing to the anomeric effect, diselenide III is characterized by the typical gauche conformation of the substituents at the Se–Se bond (torsion angle СSeSeС 83.5(4)°) stabilized by a weak intramolecular hydrogen bond С–H···π. In the crystal of compound III, the molecules form chains along the crystallographic acid b due to intermolecular noncovalent interactions Se···π(C–C) (3.404(6) and 3.458(12) A), Se···Se (3.8975(11) A), and S···N (3.250(5) A). Bactericidal and fungicidal activity of the synthesized compounds is studied.

Compound 4-(2-methoxyphenyl)-5-(thiophen-2-ylmethyl)-2,4-dihydro-1H-1,2,4-triazole-3-thione (LН) and its complex with cadmium(II) C42.12H39.50N9O3.12S6Cl2Cd (I) are synthesized. Their molecular and crystal structures are determined by X-ray diffraction analysis (СIF files CCDC nos. 1835776 (LН) and 1547251 (I)). Free ligand LН is thione and in the crystal forms H-bonded centrosymmetric dimers by two hydrogen bonds N–H···S. Complex I has a distorted trigonal bipyramidal structure: the sulfur atoms lie in the base and the chlorine atoms occupy the axial positions. Compound LН manifests itself as a monodentate ligand (S) when forming complex I and retains the thione form. The molecule of complex I is stabilized due to strong intramolecular contacts N–H···Cl. The crystal packing of compounds LН and I is formed due to the intermolecular contacts C–H···π, H···S, H···O, and H···N.

Cadmium (C20H16Cd2N4O4Se4) (I) and nickel (C10H8N2NiO2Se2) (II) selenolates are synthesized by the exchange reactions of sodium 1-oxypyridyl-2-selenolate and cadmium(II) and nickel(II) chlorides. The molecular and crystal structures of the complexes are determined by X-ray structure analysis (CIF files CCDC nos. 1585246 (I) and 1585251 (II)). Complex I forms a centrosymmetric dimer in which the coordination polyhedron of the cadmium atom is a distorted trigonal bipyramid and the selenium atoms take the trans configuration. Complex II containing the solvate C2H5OH molecule has a square structure and is a monomer. Unlike complex I, in complex II the selenium atoms of the ligands take the cis configuration. The crystal packings in complexes I and II are formed by weak intermolecular hydrogen bonds C–H···O and C–H···Se.

The molecular and crystal structures of 1-(2-methoxyphenyl)-1,4-dihydro-5H-tetrazole-5-thione (L) and its complex with cadmium(II) (II) are studied by X-ray diffraction analysis (CIF files CCDC nos. 1567109 (L) and 1547252 (II)). Free ligand L is nonplanar thione. The dihedral angle between the tetrazole and benzene cycles is 85.21(7)°. These cycles form centrosymmetric dimers in the crystal by two hydrogen bonds N–H···S. The dimers contain the central planar eight-membered ring {S=C–N–H···S=C–N–H···}. Complex II has a chain structure of the composition [(C8H7N4OS)2Cd]n. The coordination mode of the Сd(II) atom is a distorted tetrahedron consisting of two nitrogen atoms and two sulfur atoms of four ligands L. The 1D chains contain the eight-membered rings {←S=C–N–Cd ← S=C–N–Cd} in the boat conformation. Weak intermolecular hydrogen bonds C–H···N are observed between the adjacent 1D chains along the c axis in the crystal.