Interaction with CT-DNA and in vitro cytotoxicity of two new copper(II)-based potential drugs derived from octanoic hydrazide ligands.

Two copper(II) complexes [Cu(Hpmoh)(NO)(NCS)] (1) and [Cu(peoh)(N)] (2) were designed and synthesized by reaction of Cu(NO)·3HO with hydrazone Schiff base ligands,abbreviated with Hpmoh and Hpeoh. Hpmoh and Hpeoh were prepared by condensation reaction of octanoic hydrazide with pyridine-2-carboxyaldehyde and 2-acetylpyridine, respectively. Complexes 1 and 2 were characterized using different analytical techniques such as FT-IR, UV-Vis, IR, EPR and single X-ray diffraction (XRD) analyses as well as computational methods (DFT).

Bis[-octyl 3-(2-methyl-propyl-idene)di-thio-carb-az-ato-κ,]nickel(II).

The central Ni atom in the title complex, [Ni(CHNS)], is located on an inversion center and adopts a roughly square-planar coordination environment defined by two chelating , donor sets of two symmetry-related ligands in a configuration. The Ni-N and Ni-S bond lenghts are 1.9193 (14) and 2.

A water-soluble Pd molecular tweezer for selective encapsulation of isomeric quinones and their recyclable extraction.

Quinones (QN) are one of the main components of diesel exhaust particulates that have significant detrimental effects on human health. Their extraction and purification have been challenging tasks because these atmospheric particulates exist as complex matrices consisting of inorganic and organic compounds. In this report, we introduce a new water soluble PdL molecular architecture (MT) with an unusual tweezer-shaped structure obtained by self-assembly of a newly designed phenothiazine-based tetra-imidazole donor (L) with the acceptor -[(tmeda)Pd(NO)] (M) [ tmeda = ,,','-tetramethylethane-1,2-diamine].

Crystal structure of --octyl 3-(1-phenyl-ethyl-idene)di-thio-carbazate and of its bis-chelated nickel(II) complex.

The nitro-gen-sulfur Schiff base proligand --octyl 3-(1-phenyl-ethyl-idene)di-thio-carbazate, CHNS (H), was prepared by reaction of -octyl di-thio-carbamate with aceto-phenone. Treatment of H with nickel acetate yielded the complex bis-[--octyl 3-(1-phenyl-ethyl-idene)di-thio-carbazato]nickel(II), [Ni(CHNS)] (Ni ), which was shown to adopt a tetra-hedrally distorted -square-planar coordination geometry, with the NiSN planes of the two ligands forming a dihedral angle of 21.66 (6)°.

A novel nickel(II) complex with N,S donor Schiff base: Structural characterisation, DFT, TD-DFT study and catalytic investigation.

One new mononuclear nickel(II) thiosemicarbazone complex (1), has been synthesised from the Schiff base ligand derived from p-anisaldehyde and thiosemicarbazide. Complex 1 is characterized by using different spectroscopic techniques and single crystal X-ray structure analysis. Time dependent density functional theory (TD-DFT) was performed to simulate the electronic spectra of the complex 1 with the help of Polarizable Continuum Model (PCM) model.

Pt(II) Tetrafacial Barrel with Aggregation-Induced Emission for Sensing.

A new tetraphenylpyrazine-based tetraimidazole ligand () was synthesized and used for subcomponent self-assembly with -(tmeda)Pd(NO) and -Pt(PEt)(OTf), leading to the formation of two tetrafacial barrels [Pd(tmeda)](NO) () and [Pt(PEt)](OTf) (), respectively. Although ligand is aggregation-induced emission (AIE) active, barrel showed a magnificently higher AIE activity than ligand , while failed to retain the AIE properties of the ligand. Pd(II) barrel , undergoing an aggregation-caused quenching (ACQ) phenomenon, nullified the AIE activity of the ligand to be used in the photophysical application.

Crystal structure of bis-{-octyl-3-[(thio-phen-2-yl)methyl-idene]di-thio-carbazato-κ,}nickel(II).

In the title complex, [Ni(CHNS)], the nickel(II) atom is located on a crystallographic inversion center and exhibits a square-planar coordination environment, being coordinated by two negatively charged N,Schelating ligands in a configuration. In the crystal, the non-H atoms of the complex are practically coplanar (r.m.

Crystallographic elucidation of an aluminium-bound amido Schiff base chemosensor: a selective turn-on fluorescent chemosensor for Al ions.

We have synthesized a biphenyl-derived two arm-containing amido Schiff base, bis((2-hydroxynaphthalen-1-yl) methylene)-[1,1'-biphenyl]-2,2'-dicarbohydrazide (sensor 1), having hard donors to facilitate chelation with hard metal centers. The crystal structure of sensor 1 reveals that it crystallizes in the monoclinic system with the space group 2/ and shows several types of intra/inter-molecular H-bond interactions, which stabilized the crystal lattice. The sensing property of sensor 1 towards different metal ions has been demonstrated using different analytical techniques.

Crystal structure of 4-[(4-methyl-benz-yl)-oxy]-'-(4-nitro-benzyl-idene)benzohydrazide: a new hydrazone derivative.

The mol-ecular structure of the title compound, CHNO, shows a non-coplanar conformation, with dihedral angles between the phenyl rings of 73.3 (1) and 80.9 (1)°.

Crystal structure of bis-[4-(all-yloxy)-'-(but-2-en-1-yl-idene)benzohydrazidato]nickel(II).

In the title complex, [Ni(CHNO)], the nickel(II) atom exhibits a square-planar coordination geometry, being coordinated by two negatively charged , chelating ligands in a configuration, with the metal located on a crystallographic center of symmetry. The X-ray structural characterization showed the complex to be disordered over two orientations with refined occupancies of 0.898 (2) and 0.

Crystal structures of 4-[(4-methyl-benz-yl)-oxy]benzohydrazide and its '-[(thio-phen-2-yl)-methyl-idene]- derivative.

The mol-ecular and crystal structures of a benzoyl-hydrazine bearing an ether group, 4-[(4-methyl-benz-yl)-oxy]benzohydrazide, CHNO, (I), and of the corresponding '-[(thio-phen-2-yl)-methyl-idene]- derivative, 4-[(4-methyl-benz-yl)-oxy]-'-[(thio-phen-2-yl)-methyl-idene]benzohydrazide, CHNOS, (II), are described. The supra-molecular structures of both compounds are governed by N-H⋯N and N-H⋯O hydrogen-bonding inter-actions. The hydrazine compound (I) shows a crystal packing with a more complex hydrogen-bonding scheme because of the NH-NH entity, forming a di-periodic supra-molecular structure extending parallel to (100).

4-(All-yloxy)benzohydrazide.

The non-H atoms of the title compound, CHNO, are approximately coplanar with the exception of those at the ends: the terminal allyl carbon atom and terminal hydrazide nitro-gen atom are displaced from the mean plane by 0.67 (2) and 0.20 (2) Å, respectively.

Ionic Dioxidovanadium(V) Complexes with Schiff-Base Ligands as Potential Insulin-Mimetic Agents-Substituent Effect on Structure and Stability.

Four dioxidovanadium(V) complexes with Schiff-base ligands based on 2-hydroxybenzhydrazide with four different substituted salicylaldehydes (5-chlorosalicylaldehyde, 3,5-dichlorosalicylaldehyde, 5-nitrosalicylaldehyde, 3-bromo-5-chlorosalicylaldehyde) were synthesized and described, by using VO and triethylamine. The single crystal X-ray structure measurements as well as elemental analyses and IR spectra confirmed the formulas of the ionic complexes with a protonated triethylamine acting as counterion, HTEA[VO(L)] (HL = Schiff-base ligand). The kinetic stability of the complexes at pH = 2 and 7 was discussed with respect to the neutral vanadium(V) complexes previously studied as potential insulin-mimetic agents.

Crystal structure of ethyl 4-[(4-methyl-benz-yl)-oxy]benzoate.

The title compound, CHO, crystallizes with three mol-ecules in the asymmetric unit. The mol-ecules differ in the conformation related to the eth-oxy group and in the orientation of the two phenyl rings, one of which has the eth-oxy group disordered over two positions with refined occupancies of 0.735:0.

Crystal structure of bis-{4-[(4-methyl-benz-yl)-oxy]-'-(4-methyl-benzyl-idene)benzohydrazidato}nickel(II).

In the title complex, [Ni(CHNO)], the central Ni atom is located on an inversion centre and exhibits a slightly distorted square-planar NO coordination environment. A configuration of the , chelating ligands results from the imposed site symmetry of the central Ni atom. In the crystal, individual mol-ecules stack along the axis through weak π-π stacking inter-actions between the phenyl rings.

Fluorescence enhancement structural rigidification inside a self-assembled Pd molecular vessel.

Restriction of intramolecular motion (RIM) is fundamental for the high emission of aggregation-induced emission (AIE)-active molecules in aggregates or the solid-state. However, they are weakly emissive in dilute solution, which limits their application in dilute solutions. A Pd molecular vessel (MP1) was constructed by assembling [-(en)Pd(NO)] (M) with a tetradentate donor (L) in a 2 : 1 molar ratio.

Interaction with bioligands and in vitro cytotoxicity of a new dinuclear dioxido vanadium(V) complex.

One centrosymmetric bis(μ-oxido)-bridged vanadium(V) dimer with molecular formula [(VO)(pedf)] (1) has been synthesized from the reaction of VOSO·5HO with a Schiff base ligand (abbreviated with pedf) obtained from 2-acetylpyridine and 2-furoic hydrazide in methanol. Complex 1 was characterized by elemental analysis, UV-visible (UV-Vis), Fourier-transform infrared spectra (FT-IR), cyclic voltammetry (CV), electron paramagnetic resonance spectroscopy (EPR) and electrospray ionization-mass spectrometry (ESI-MS) techniques along with single crystal X-ray diffraction (SCXRD). The FT-IR spectral data of 1 indicated the involvement of oxygen and azomethine nitrogen in coordination to the central metal ion.

The tetrel bonding role in supramolecular aggregation of lead(II) acetate and a thiosemicarbazide derivative.

A new Pb coordination complex [PbL(OAc)], which was readily synthesized from a mixture of Pb(OAc)·3HO and 1-(pyridin-2-yl)benzylidene-4-phenylthiosemicarbazide (HL) is reported. The crystal structure analysis of [PbL(OAc)] showed that the Pb cation is N,N',S-chelated by the tridentate pincer-type ligand L and by the oxygen atoms of the acetate anion. In addition, the metal centre forms Pb.

Experimental and Theoretical Evidence of a Pb⋅⋅⋅Pb Ditetrel Bond Without a σ-Hole.

The crystal structure of a newly synthesized compound, [PbL(Ac)] , (where L=2 (amino(pyrazin-2-yl) methylene) hydrazinecarbothioamide, Ac=acetate anion) exhibits a close contact between pairs of Pb atoms, suggesting a ditetrel bond, in addition to two Pb⋅⋅⋅O tetrel bonds, and two C-H⋅⋅⋅O H-bonds. The presence of this ditetrel bond as an attractive component is confirmed by various quantum chemical methods. This novelty of this particular bond is its existence even in the absence of a σ-hole on the Pb atom, which is typically considered a prerequisite for a bond of this type.

Conformation-Selective Self-Assembly of Pd Trifacial Molecular Barrels Using a Tetrapyridyl Ligand.

A conformationally flexible tetrapyridyl ligand was assembled separately with three cis-blocked 90° Pd acceptors (, , and ) containing different blocking diamines. Surprisingly, different conformations of the donor were arrested by the acceptors depending on the nature of the blocking amine, leading to the formation of isomeric Pd barrels (, , and ). and with larger windows have been used to encapsulate polyaromatic hydrocarbons.

Correction: On the importance of π-hole spodium bonding in tricoordinated Hg complexes.

Correction for 'On the importance of π-hole spodium bonding in tricoordinated Hg complexes' by Ghodrat Mahmoudi , , 2020, , 17547-17551, https://doi.org/10.1039/D0DT03938A.

Metallophilic interactions in silver(I) dicyanoaurate complexes.

This manuscript reports four new gold(I)-silver(I) complexes with 2-(2-pyridyl)-1,8-naphthyridine (pyNP) and terpyridine (terpy) as ancillary ligands, having formulae [Ag(pyNP)(Au(CN))] (1), [AgAu(μ-CN)(CN)(pyNP)] (2), [AgAu(μ-CN)(terpy)][Au(CN)] (3) and [AgAu(μ-CN)(terpy)(py)] (4). Complexes 1 and 2 are structural isomers obtained from different solvents. The Au(CN) anion is not coordinated and establishes intramolecular Au⋯Ag,Ag interactions in 1.

Solvent and Counteranion Assisted Dynamic Self-Assembly of Molecular Triangles and Tetrahedral Cages.

Self-assembly of naked Pd ions separately with newly designed bis(3-pyridyl)benzothiadiazole () and bis(3-pyridyl)thiazolo[5,4-]thiazole () donors separately, under varying experimental conditions, yielded PdL (L= or ) tetrahedral cages and their homologous PdL (L= or ) double-walled triangular macrocycles. The resulting assemblies exhibited solvent, temperature, and counteranion induced dynamic equilibrium. Treatment of with Pd(BF) in acetonitrile (ACN) resulted in selective formation of a tetrahedral cage [Pd()](BF) (), which is in dynamic equilibrium with its homologue triangle [Pd()](BF) () in dimethyl sulfoxide (DMSO).

Self-Assembly of Octanuclear Pt/Pd Coordination Barrels and Uncommon Structural Isomerization of a Photochromic Guest in Molecular Space.

Two tetragonal molecular barrels and were successfully synthesized by coordination-driven self-assembly of a tetrapyridyl donor () of the thiazolo[5,4-]thiazole backbone with -blocked 90° Pd(II) and Pt(II) acceptors, respectively. The single-crystal structure analysis of revealed the formation of a two-face opened tetragonal Pd molecular barrel architecture. In contrast, the isostructural Pt(II) barrel () is water-soluble.

On the nature of recurrent Au⋯π motifs in tris(2,2'-bipyridine)M(II) (M = Fe, Co and Ni) dicyanoaurate(I) salts: X-ray analysis and theoretical rationalization.

This manuscript reports the synthesis, X-ray characterization and DFT study of three new [M(bipy)][Au(CN)](X) (M = Fe, Co, and Ni; bipy = 2,2'-bipyridine; X = anion) ionic compounds. These salts are composed of [M(bipy)] dications and [Au(CN)] anions in a 2 : 3 ratio. The positive charge is compensated by X = Cl anions in compounds 1 (M = Fe) and 2 (M = Co) and X = OH in 3 (M = Ni).