Reaction of a 3-aryilidene-2-thiohydantoin derivative with polymeric trans-[CuCl2(DMSO)(2)](n) complex: unexpected isomerization to dinuclear cis-[{CuCl(DMSO)(2)}(mu-Cl)](2)

The 3-arylidene-2-thiohydantoin derivative, 3-[(2-hydroxybenzylidene)amino]-2-thioxoimidazolidin-4-one, was synthesized in a two-step condensation reaction of 2-hydroxybenzaldehyde, thiosemicarbazide and ethyl chloroacetate. The ligand was structurally characterized by NMR and IR spectroscopy, as well as by elemental analysis. In the reaction of the well-known polymeric trans-[CuCl2(DMSO)(2)](n) complex with the polydentate thiohydantoin type ligand, instead of the corresponding copper thiohydantoin complex, unexpectedly, the dinuclear cis-[{CuCl(DMSO)(2)}(mu-Cl)](2) complex (1) was formed predominantly as the final stable product. The structure of the complex 1 was confirmed by single crystal X-ray diffraction analysis. The cis-complex is obtained through assisted isomerization of the trans-form, in which the thiohydantoin derivative has a crucial role

Synthesis and structural characterization of Cd(II) complexes with 2-acetylpyridine-aminoguanidine - a novel coordination mode

The structures of the first two complexes with bidentate coordination of aminoguanidine Schiff base, i.e., 2-acetylpyridine-aminoguanidine (L), are reported. The complex of the formula [Cd2Cl6(HL)2] (1) was obtained in the reaction of warm aqueous solutions of chloride salts of Cd(II), Zn(II) and the ligand, while the reaction of cadmium bromide and the ligand in the presence of deprotonating agent as well as ammonium thiocyanate resulted in the formation of the complex in which Schiff base has both the role of the ligand and the counterion, viz., [HL][Cd(HL)(NCS)2XY]·H2O (2), where X is Cl- or Br-, and Y Br- or SCN-. The complexes were characterized by IR spectroscopy, elemental analysis, conductometric measurements and single crystal X-ray diffraction. The unusual bidentate coordination of the Schiff base lead to significant changes in the geometry of this molecule (from almost planar in free form and as a tridentate ligand to twisted as a bidentate ligand). Besides, in complex 1 relatively rare bridging coordination of Cl- in octahedral Cd(II) is found, while the crystal structure of complex 2 exhibits substitutional disorder, and contains four different anions: [Cd(HL)(NCS)2Br(SCN)]- (ca. 61 %), [Cd(HL)(NCS)2Cl(SCN)]- (ca. 35 %), [Cd(HL)(NCS)2Br2]- (ca. 3 %) and [Cd(HL)(NCS)2ClBr]- (ca. 1 %)

Transition metal complexes with thiosemicarbazide-based ligands. Part 60. Reactions of copper(II) bromide with pyridoxal S-methylisothiosemicarbazone (PLITSC). Crystal structure of [Cu(PLITSC−H)H2O]Br•H2O

The synthesis and structural characterization of a square-planar copper(II) complex with pyridoxal S-methylisothiosemicarbazone (PLITSC) of the formula [Cu(PLITSC−H)H2O]Br•H2O (1) as the first Cu(II) complex with monoanionic form of this ligand were described. Complex 1 together with two previously synthesized complexes [Cu(PLITSC)Br2] (2) and [Cu(PLITSC)Br(MeOH)]Br (3) were characterized by elemental analysis, IR and electronic spectra and also by the methods of thermal analysis, conductometry and magnetochemistry. [Projekat Pokrajisnkog sekretarijata za nauku i tehnoloski razvoj Vojvodine i Ministarstva nauke Republike Srbije, br. 172014

Design, synthesis, and biological evaluation of thiazole bioisosteres of goniofufurone through in vitro antiproliferative activity and in vivo toxicity (vol 121, 105691, 2022)

The contribution corrects an equation from the paper: Delasoie, J., Radakovic, N., Pavic, A., & Zobi, F. (2020). Neovascularization Effects of Carbon Monoxide Releasing Drugs Chemisorbed on Coscinodiscus Diatoms Carriers Characterized by Spectromicroscopy Imaging. Applied Sciences, 10(20), 7380. [https://doi.org/10.3390/app10207380

Synthesis, crystal structure and local anti-inflammatory activity of the L-phenylalanine methyl ester derivative of dexamethasone-derived cortienic acid

The L-phenylalanine methyl ester derivative of dexamethasone-derived cortienic acid (DF) was synthesized and its crystal structure characterized by the X-ray diffraction method. The crystal system is orthorhombic with space group P2(1)2(1)2(1) and cell constants a = 8.2969(3) angstrom, b = 18.9358(8) angstrom, c = 20.0904(6) angstrom, V = 3156.4(2) angstrom(3) and Z = 4. Ring A of the steroid nucleus and phenyl ring in the 17 beta-side chain are almost planar. Rings B and C have a slightly distorted chair conformation, whereas ring D has an envelope conformation. The packing of DF is characterized by a network of intermolecular hydrogen bonds involving the O4 atom from one side of the steroid nucleus and O1 and F1 atoms from the other side as hydrogen bond acceptors. Apart from the intermolecular hydrogen bonds in the crystal packing, there are also numerous intramolecular hydrogen bonds of the N-H center dot center dot center dot O, C-H center dot center dot center dot O and C-H center dot center dot center dot F type. The local anti-inflammatory activity of DF was evaluated using the croton oil-induced ear oedema test. This derivative achieved maximal inhibition of ear oedema at significantly lower concentration in comparison with dexamethasone

First cobalt complexes with methyl pyruvate semi/thiosemicarbazone - synthesis, physico-chemical and structural characterization

In the reaction of acetone solutions of CoX2∙nH2O (X = Cl, Br) with methyl pyruvate semi/thiosemicarbazone (Hmps, Hmpt) the first Co(II) complexes with these ligands, i.e., [Co(Hmps)(H2O)X2] (X = Cl (1), Br (2)), [Co(Hmpt)2][CoCl4]∙2H2О (3) and [Co(Hmpt)2]Br2∙Me2CO (4) were obtained. Complexes 1 and 2 represent the first examples of metal complexes of Hmps. All the obtained compounds were characterized by elemental analysis, conductometry, magnetic measurements, and IR spectra, and for complexes 2–4, single crystal X-ray diffraction analysis was also performed. The effective magnetic moments were close to the upper limit (5 μB) for complexes 1 and 2, and close to the lower limit (4.4 μB) for complexes 3 and 4, and as such are characteristic for high-spin Co(II) complexes. Structural analysis showed that both ligands coordinate in a neutral form in a tridentate manner, via the ester oxygen, imine nitrogen and the oxygen atom of the ureido (Hmps), or the sulfur atom of the thioureido group (Hmpt). The central metal atoms are situated in a deformed octahedral coordination environment. Complex 2 has cis-Br configuration, while complexes 3 and 4 have mer-configuration

Structural study of Pt(II) and Pd(II) complexes with quinoline-2-carboxaldehyde thiosemicarbazone

Two square-planar complexes, [PtLCl] (1) and [PdLCl] (2), were synthesized with quinoline-2-carboxaldehyde thiosemicarbazone ligand (HL), and characterized by IR and NMR spectroscopy and single crystal X-ray diffraction analysis. In both complexes, L- is coordinated tridentately via the same donor atom set, while the fourth coordination site is occupied by a chloride ion. However, the complexes are not isostructural due to different types of non-covalent intermolecular interactions. These interactions were analyzed using Hirshfeld surfaces and two-dimensional fingerprint plots

Comments on DFT calculation, biological activity, anion sensing studies and crystal structure of (E)-4-chloro-2-((pyridin-2-ylimino)-methyl)phenol by Nuray Yıldırım, Neslihan Demir, Gökhan Alpaslan, Bahadir Boyacıoğlu, Mustafa Yıldız, and Huseyin Ünver, published in the Journal of the Serbian Chemical Society, volume 83, issue 6, 2018, pp. 707-721

The crystal structure of (E)-4-chloro-2-((pyridin-2-ylimino)-methyl)- phenol, recently published by Yıldırım et al. in J. Serb. Chem. Soc. 83 (2018) 707–721, is revised. Refinement of the new structural model against original X-ray diffraction data, deposited with the Cambridge Crystallographic Data Centre, proved that the compound studied by single crystal X-ray diffraction was actually (E)-4-chloro-2-((pyridin-3-ylimino)methyl)phenol