An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.

The product of 3-formyl-2-quinolone condensation with trimethylammonium chloride acethydrazide, (H2L+)Сl– hydrazone, was synthesized. Complexes of Zn(II) and Cu(II), [M(HL)OCH3]ClO4, with a distorted square-planar strucrure of coordination sites and asymmetric chelate сomplexes of Mn(II), Ni(II), and Co(II), [M(HL)(H2L)]·(ClO4)3, of pseudo-octahedral structure were obtained on its basis. The protistocidal, antibacterial, and fungistatic activities of the synthesized compounds were studied.

Azomethine HL was synthesized by the reaction of o-aminophenol with 2-acetylbenzimidazole and used to prepare the cobalt(III) complex [CoL2]2(ClO4)2⋅3H2O (I). The structure of complex I was established by NMR spectroscopy in solution and by single crystal X-ray diffraction (CIF file CCDC no. 2051279). The cobalt ion in the +3 oxidation state has an octahedral environment. The crystals are monoclinic, space group C2/c, a = 12.405(7), b = 13.946(11), c = 18.907(13) Å, α = 109.87(3)°, β = 94.534(12)°, γ = 104.564(19)°, V = 2928(3) Å3, ρ(calcd.) = 1.521 g/cm 3, Z = 2. The complex is diamagnetic. Study of the electrochemical behavior of I in acetonitrile showed that it can be reduced to neutral and radical anion forms.

Reaction of 1-phthalazinylhydrazone of o-diphenylphosphinobenzaldehyde (HL) with Fe(II) and Co(II) perchlorates has led to complexes of different composition and structure: [Fe(HL)2](ClO4)2 · H2O (1) and [CoL2](ClO4) · H2O (2) in spite of the use of salts with the same anion. Со2+ ion undergoes oxidation to Co3+ upon complexation. The structure of the complexes has been established by NMR spectroscopy in solution and by X-ray diffraction in crystal. X-ray diffraction has shown that complexing metal ions have octahedral structure. Compound 2 forms two independent molecules in crystal.

Complexes [Сu2L4(MeOH)2] (I) and [СoL2] (II) are synthesized by the reactions of copper(II) and cobalt(II) acetates with 3-[5-p-tolyl)-1,3,4-oxadiazol-2-yl]acrylic acid (HL). The crystal structure of complex I is determined by X-ray diffraction (XRD) (CIF file CCDC no. 2052347). The crystals are monoclinic, space group C2/c, a = 26.056(4), b = 19.677(3), c = 13.998(2) Å, β = 91.571(3)°, V = 7175(2) Å3, ρcalc = 1.026 g/cm3, Z = 4. In a molecule of complex I, the pair of centrosymmetric copper atoms is bound by four bridging carboxyl groups. The intramolecular Cu…Cu distance is 2.654(2) Å. The coordination polyhedron CuO5 is a distorted square pyramid. The magnetic interactions between the copper(II) ions in complex I are shown to be antiferromagnetic (2J = –185 cm–1). In the case of complex II, the application of an external magnetic field decreases the magnetic relaxation rate. The Raman mechanism and direct mechanism are the most probable route for magnetization relaxation. Unlike the copper(II) complex, complex II is probably mononuclear in both the solution and solid phase.

The complex formation properties of the product 2-oxo-1,2-dihydroquinoline-3-carbaldehyde condensation with stearic acid hydrazide towards Cu(II) and Ni(II) ions has been studied. Composition and structure of the complexes has been found dependent on the nature of the metal and acid residue. The obtained compounds have been investigated by spectral methods, the temperature dependence of the magnetic susceptibility in constant magnetic field has been measured. Quantum-chemical simulation of possible isomers of N’-acylhydrazone in a solution has been carried out.

The novel hydrazone, a condensation product of 2-N-tosylaminobenzaldehyde and Girard T reagent, as well as theCu(II), Ni(II), Co(II) and Fe(III) complexes on its base were synthesized. Theligand structure and properties were studied with IR, UV,1H NMR spectroscopy, mass-spectrometry, andpotentiometry method. Structure of nickel(II) complex was determined by X-raydiffraction analysis.

A new hetaryl hydrazone has been obtained via condensation of 2-aminopyridine-3-carbaldehyde with 1-hydrazinophthalazine and its complexing ability with respect to selected metal ions has been studied. Depending on the nature of the metal and the acid residue, complex compounds of various compositions and structures have been formed.

Condensation of 4-hydroxy-3-formylcoumarin with 4-aminobenzyl(triphenyl)phosphonium bromide has led to the formation of a phosphonium salt existing in DMSO solution as a mixture of two enamine forms, Z and E, according to NMR spectroscopy and quantum-chemical simulations data. Basing on the obtained salt, the ML2 metal chelates of zinc(II), copper(II), and nickel(II) have been synthesized. Luminescence properties of the ligand and its complex with zinc have been studied.

The novel hetarylhydrazone (H2L) has been synthesized by condensation of 2-hydrazino-4,6-dimethylpyrimidine with 1-phenyl-3-methyl-4-formylpyrazol-5-one and its complexes with CuCl2 and Cu(ClO4)2 have been obtained. The structures of the compounds were studied by means of NMR, IR, ESR spectroscopy, magnetic susceptibility measurements and X-Ray diffraction methods. The quantum-chemical modelling of the geometry and electronic structure of the hetarylhydrazone’s tautomers has been carried out. The influence of the nature of acido-ligand on the structure of complex compounds has been established. Copper(II) chloride gives mono-nuclear complex [Cu(H2L)Cl2].H2O, while copper(II) perchlorate yields the polymeric structure ([Cu(HL)(CH3OH)]ClO4)n. For polymer compound no magnetic exchange interactions were detected.

A new azomethine based on N-aminofluorescein and ortho-tosylaminobenzaldehyde has been synthesized. Structure and properties of the obtained compound have been studied by means of IR, 1H NMR, and electron absorption spectroscopy as well as potentiometry. Using the DFT method, quantum-chemical simulation of electronic absorption spectra has been performed. The complexation of the obtained azomethine in solutions with Cu2+, Ni2+, and Co2+ cations has been studied. Metal chelates (1:2) with Cu(II), Ni(II), Zn(II), and Cd(II) have been isolated. Octahedral structure of the coordination site has been suggested for the obtained metal chelates.

Condensation of 7-hydroxy-4-methyl-8-formylcoumarin with 1,3-diaminopropan-2-ol has afforded a novel bis-azomethine, and its metal chelates with copper(II), nickel(II), and zinc(II) have been obtained. Structure and properties of the prepared compound have been studied by spectral and quantum-chemical methods.

Dimethylsulfoxide solutions of the products of the condensation of formylmethyl(triphenyl)phosphonium chloride with amines of different nature are studied via densitometry, elemental analysis, and IR, 1H NMR, and UV–Vis spectroscopy. Compounds containing carboxyl groups are found to be capable of forming micelles. It is concluded that the substantial drop in the molar volume as the temperature rises for a compound containing butyl radicals suggests the solution contains only one isomer at elevated temperatures.