1-(2-Methoxyphenyl)-1,4-Dihydro-5H-Tetrazole-5-Thione and Its Complex with Cd(II): Molecular and Crystal Structures

• Published in: Russian journal of coordination chemistry Vol. 45; no. 2; pp. 112 - 118
• Main Authors: Askerov, R. K., Magerramov, A. M., Osmanov, V. K., Baranov, E. V., Borisova, G. N., Samsonova, A. D., Borisov, A. V.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01.02.2019; Springer Nature B.V
• Subjects: Benzene; Bonding strength; Cadmium compounds; Chains; Chemistry; Chemistry and Materials Science; Crystal structure; Crystals; Dihedral angle; Dimers; Hydrogen bonds; Inorganic Chemistry; Ligands; Nitrogen atoms; Physical Chemistry; Tetrahedra; Tetrazoles; X-ray diffraction; tetrazole-5-thione; crystal structure; polymer complex; 1-(2-methoxyphenyl)-1,4-dihydro-5
• ISSN: 1070-3284; 1608-3318
• DOI: 10.1134/S1070328419020039

The molecular and crystal structures of 1-(2-methoxyphenyl)-1,4-dihydro-5 H -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 [(C 8 H 7 N 4 OS) 2 Cd] 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.