Crystal and Molecular Structures and Acid–Base Equilibria of N-(4-Chlorophenyl)-2-Benzoylethylamine and Bis[3-(o-Chlorophenyl)-1-Phenylaminopropyl]diazene

Crystallography Reports - N-(Phenyl)-2-benzoylethylamine (I), N-(4-chlorophenyl)-2-benzoylethylamine (II), and N-(2-chlorophenyl)-2-benzoylethylamine hydrazone (III) were synthesized in the...     

Copper(II), iron(III), and chromium(III) complexes with 5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene derivatives

Six copper(II), iron(III), and chromium(III) complexes with 5,10-dioxo-4,5,9,10-tetrahydro-4,9-diazapyrene derivatives (H₂L¹-H₂L³) have been synthesized and studied by physical methods (IR and electronic absorption spectroscopy, quantum-chemical calculations). The composition of the complexes has been determined and their stability constants in aqueous dimethylformamide solutions have been calculated. The energy characteristics, electronic structure and geometry of isolated diazapyrenes and their tautomeric forms have been calculated by the PM6 method, and their complexes have been modeled.     

Synthesis and the crystal and molecular structures of (H3L · Cl)[CoCl4] and H2L[CuBr4] (L is 2,4,6-Tri(N,N-dimethylamino)methylphenol)

The complex compounds (H₃ L · Cl)[CoCl₄] (I) and H₂ L[CuBr₄] (II), where L is 2,4,6-tri(N,N-dimethylamino)methylphenol, were isolated in the crystalline state and studied by X-ray diffraction. The organic cations were found to be outer-sphere ligands. All three nitrogen atoms of the tertiary amino groups are protonated. In compound I, the H₃ L ³⁺ cation exists as the cis tautomer. In compound II, the H₂ L ²⁺ dication exists as the trans isomer. In the crystal structure, the dications are arranged in layers via hydrogen bonds.     

Synthesis and physicochemical properties of the <Emphasis Type="Italic">d</Emphasis> metal complexes with 2-phenyl-4-(piperidyl-1)-pyrido[2,3-a]anthraquinone. The molecular and crystal structures of 2-phenyl-4-(piperidyl-1)-pyrido[2,3-a]anthraquinonium-7,12 tetranitrozincate

Two types of complexes of 2-phenyl-4-(piperidyl-1)-pyrido[2,3-a]anthraquinone (L) with transition metals were isolated from neutral acetonitrile and acidified acetonitrile and ethanol solutions and characterized. Metal complexes synthesized at pH = 7 had the composition MCl₂L · (CH₃CN) _n (M = Cu, Co, Ni). The complexes (HL)₂[Cu₂Cl₆] (I), (HL)₂[CoCl₄] (II), (HL)₂[Zn(NO₃)₄] (III) were obtained at pH = 1–2. The molecular and crystal structure of complex III was determined. Some spectral parameters of L and its complexes were measured.     

Study of Silver(I) Complex Formation with Some Thiourea Derivatives in Aqueous Solution

Russian Journal of General Chemistry - The equilibrium processes of the formation of mononuclear and some binuclear silver(I) complexes with thiourea, N-acetylthiourea, thiosemicarbazide,...     

Crystal and molecular structures of 3-amino-4-hydroxy benzenesulfonamide and its hydrochloride: Quantum-chemical study of their tautomerism

3-amino-4-hydroxy benzenesulfonamide and its hydrochloride have been isolated in the crystalline state. Their crystal and molecular structures are determined by X-ray diffraction. The equilibrium between neutral tautomeric forms of the 3-amino-4-hydroxy benzenesulfonamide molecule is studied within the approximation of density functional theory (B3LYP/aug-cc-pVDZ). The constants of acid-base equilibrium of 3-amino-4-hydroxy benzenesulfonamide are deter-mined using spectrophotometry.     

Hexaaquacobalt(II) and hexaaquacadmium(II) 4-nitro-2,3,5,6-tetraoxopyridinates [M(H2O)6](C5HN2O6)2 · 2H2O (M = Co and Cd): Synthesis, structures, and properties

The complexes [Cd(H₂O)₆](C₅HN₂O₆)₂ · 2H₂O (I) and [Co(H₂O)₆](C₅HN₂O₆)₂ · 2H₂O (II) were obtained in the crystalline state by reactions of cobalt chloride and cadmium chloride with ammonium 4-nitro-2,3,5,6-tetraoxopyridinate, (NH₄)₂ · (C₅HO₆N₂)₂. Their cocrystallization gave the heterometallic complex [Cd_0.32Co_0.68(H₂O)₆](C₅HN₂O₆)₂ · 2H₂O (III). The crystal and molecular structures of complexes I-III were determined by X-ray diffraction. It was demonstrated that the complexation reactions occur by replacement of two ammonium cations 4-nitro-2,3,5,6-tetraoxopyridinate by the complex cations [M(H₂O)₆]²⁺. The tetraoxopyridinate anions and the complex cations are hydrogen-bonded through the coordinated and crystallization water molecules as well as through the O atoms of the organic anion. The thermolysis of complexes I and II was examined by TGA.     

Complexes of some tervalent metals with <Emphasis Type="Italic">N</Emphasis>-alkyl(benzyl)nitrozohydroxylamine derivatives

Twenty two new complexes of some tervalent metals (aluminum, chromium, iron, and lanthanides) with nitrozohydroxylamine N-alkyl(benzyl) derivatives ML₃^m · nH₂O, (m = 1?5) were synthesized and isolated in a crystalline state. The crystal and molecular structures of the iron(III) complex with N-(2-fluorobenzyl)-N-nitrozohydroxylamine were determined by X-ray diffraction. An octahedral coordination of the central ion and a bidentate chelating coordination of the organic ligand were established. The spectral criteria of coordination of nitrozohydroxylamine alkyl(benzyl) derivatives were determined, and the complexation processes in solutions were studied.     

Synthesis,spectral characteristics,and the crystal and molecular structures of 2,3-dimethyl-1-phenyl-4-(<Emphasis Type="Italic">N</Emphasis>-phthalimido)pyrazolone-5

2,3-Dimethyl-1-phenyl-4-(N-phthalimido)pyrazolone-5 (I) is synthesized and isolated in the form of single crystals. The crystal structure of compound I is determined using X-ray diffraction. The phthalimide and pyrazolone rings in the molecule are not coplanar: the angle between their median planes is 56.4°. The bond lengths in the rings level off, which indicates the delocalization of the electron density. The spectral characteristics (IR and electronic spectra) of molecule I are determined.     

Synthesis and Physicochemical Properties of d- and f-Metal Complexes with Alloxan

Fifteen d- and f-metal complexes with alloxan were synthesized. Complexes of two types, in which alloxan exists in mono- or diinozed form, were found to be formed, depending on the synthesis conditions (solvents and pH of solutions). Physicochemical properties of alloxanates were studied by IR, X-ray photo electron, and electronic absorption spectroscopies. The alloxan molecule was calculated using the PPP method. The structures of complexes synthesized were suggested.