Synthesis, crystal structure of new linear trinuclear isovalence Co(II)([Co3(H–L)2(L)2]), and visualizing intermolecular interactions with Hirshfeld surface method

Abstract

S-allyl-b-N-[(2-hydroxyphenyl)methylene]hyrazinecarbodithioate) (1, H 2 L), the Schiff base of dithiocarbazate with unsaturated allyl substitution, can act as a new tridentate SNO ligand H 2 -L and react with cobalt(II) nitrate hexahydrate to form the novel linear trinuclear isovalence Co(II) complex, [Co 3 (H-L) 2 (L) 2 ] 2C 2 H 5 OH (2). The compounds were characterized by elemental analysis, infrared, and ultraviolet spectroscopy. Compound 2 was also characterized by single-crystal X-ray analysis and crystallizes in the orthorhombic space group, Pbcn, with a = 30.643(1) Å , b = 9.118(4) Å , c = 19.017(7) Å , a = b = c = 90°, V = 5312.95 Å 3 , Z = 4, and R 1 = 0.0790, (wR 2 ) = 0.1223. The six-coordinate central Co(II) atom is bonded to two deprotonated metal-containing ligands. The terminal Co(II) atoms are in a square planar SNON four-coordinate environment and connected to the central Co(II) by N-atoms from the ligand backbone. For quantifying the intermolecular interactions in crystal lattice, the new d norm surface and the breakdown of fingerprint plots have been used for visualizing and exploring the compound 2.

Molecular design and synthesis of new dithiocarbazate complexes; crystal structure, bioactivities and nano studies

“…42 The absence of this signal in the spectra of the complexes conrms that coordination occurs through the phenolic oxygen. 43 Also the singlet signal assigned to the imine hydrogen in the L spectrum (8.54 ppm) shis down eld aer complexation 44,45 while satellites appear around this signal in compounds 4-6 which correspond to coupling of this hydrogen with 117 Sn and 119 Sn isotopes, 46 all of which indicate coordination of this nitrogen atom.…”

Interplay of thermochemistry and Structural Chemistry, the journal (volume 19, 2008) and the discipline

“…In the next paper, Yazdanbakhsh and Takjoo [289] synthesized S-allyl-b-N-[(2-hydroxyphenyl)methylene]hydrazinecarbodithionate (H 2 L), which in turn was reacted with cobalt(II) nitrate hexahydrate in ethanol to form the novel Co(II) complex [Co 3 (H-L) 2 (L) 2 ] 2 C 2 H 5 OH. The authors used elemental analysis and infrared and ultraviolet spectroscopy to characterize the new compounds, as well as using single-crystal X-ray analysis to provide further characterization of the latter compound.…”

Studies on Coordination Chemistry and Antibacterial Activity of Bidentate NS Schiff Base Derived From SBDTC and 4-Benzyloxybenzaldehyde

“…Besides the medicinal applications, complexes derived from dithiocarbazate esters and their Schiff bases have also possible applications in the area of electronic engineering as nano-materials [14], solar cell components [15] and non-linear optical materials (NLO) [16]. Dithiocarbazates constitute one of the most important classes of mixed hard-soft nitrogen-sulfur donor ligands [2,17], having four potential donor atoms of which two are sterically available at a time to chelate metal ions. In fact the presence of hard nitrogen and soft sulfur atoms enable these ligands to react with both transition and main group metals [18].…”