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Benzocaine is known for its antibacterial, anticancer, antitumor, and antifungal properties. Herein, a series of three new Schiff bases is synthesized by reacting benzocaine with salicylaldehyde (E4AS), 2,3-dihydroxybenzaldehyde (E4ADH), and 5-chlorosalicylaldehyde (E4ACl). These benzocaine-based Schiff bases were characterized by a variety of spectroscopic methods, including FTIR, NMR, (1H and 13C), and elemental analysis (CHN). Additionally, the single crystal X-ray diffraction method was used to reveal the molecular structures of the derivatives. Solid-state X-ray crystal structures of E4AS and E4ACl adopted enol tautomeric form, whereas keto-tautomeric form was found in E4ADH. The supramolecular assembly of the compounds was probed by Hirshfeld surface analysis. The void analysis was executed to predict the mechanical response of the compounds. Additionally, UV–Vis spectroscopy and molecular docking practices were used to look into the DNA binding abilities of the benzocaine-based Schiff bases. The geometries of the molecules were fully optimized and studied for their electronic structural properties of respective compounds. The frontier molecular orbitals and molecular electrostatic potentials were studied to predict the properties of molecules. The study provides molecular-level intuitions into the synthesis and prospective uses of these Schiff bases in the arena of general and medicinal chemistry. [ABSTRACT FROM AUTHOR]

• Synthesis of hydrazone-based schiff base • Structural confirmation through various spectroscopic techniques • Exploration of electronic properties and optical nonlinearity via TDF • Study of electronic properties at M06/6–311G (d,p) functional A new thiosemicarbazide-based Schiff base (TSDHB) was synthesized from thiosemicarbazide and 2,3-dihydroxybenzaldehyde. The prepared thiosemicarbazone was characterized by elemental (CHN), FT-IR, 1H and 13C NMR techniques. Furthermore, the molecular structure was probed using the single-crystal X-ray diffraction (SC-XRD) technique, which confirmed the enol tautomeric form with two independent molecules in asymmetric unit. The dissimilarity between the molecular units was determined by molecular overlay plots. The various intermolecular interactions and solid-state assembly stabilization were explored by Hirshfeld surface analysis. Void analysis was executed to examine the mechanical stability of crystalline units. The bioactivity of thiosemicarbazone was probed with the help of its binding capacity with salmon sperm DNA (SS-DNA) by means of the absorption interaction method. Accompanied by biological activity, optoelectronic properties such as nonlinear optical properties of yielded crystal were also explored through the DFT approach at M06/6–311 G (d,p). For this, various kinds of investigations such as frontier molecular orbital (FMO), UV–Vis, global reactivity parameters (GRPs), transition density matrix (TDM), density of states (DOS), natural population analysis (NPA), and natural bond orbital analysis (NBO) were executed at M06 functional. A good agreement was examined between XRD and DFT findings of molecular geometric parameters. Notably, in comparison with urea, TSDHB demonstrated enhanced nonlinear optical properties (linear polarizability=4.766 × 10−23 esu and third-order hyperpolarizability=5.939 × 10−35 esu). These findings position TSDHB as a promising candidate for DNA binding as well as for photonic materials due to its unique molecular characteristics and enhanced nonlinear optical behavior. [ABSTRACT FROM AUTHOR]

• Two new Schiff bases are synthesized which adopt enol and keto tautomeric forms. • The dihedral angles indicate the planar nature of molecules of both Schiff bases. • Both compounds have the potential for optical applications. • The molecular structure of both compounds is stabilized by hydrogen bonding. • Smaller void volumes indicate that the molecules are closely packed. The current work focuses on the synthesis of the two new Schiff base ligands derived from o -aminophenol named 2-[(E)-(3-chlorophenyl)methylidene]amino-phenol (2AP3Cl) and 4-Chloro-2-(E)-[(2-hydroxyphenyl)iminio]methyl-phenolate (2AP5Cl). The synthesized Schiff bases were characterized by different Spectro analytical techniques like CHN, FT-IR, and NMR (1H and 13C) analysis. Moreover, a single crystal X-ray diffraction (SC-XRD) study was carried out for both compounds, which inferred that 2AP3Cl and 2AP5Cl adopted enol and keto tautomeric forms, respectively. The supramolecular assembly with respect to strong and comparatively weak non-covalent interactions was explored by Hirshfeld surface analysis. The interaction energy between molecular pairs, energy frameworks, and void analysis was performed to further investigate the crystal packing environment. Both compounds were screened for their DNA binding abilities. Moreover, quantum chemical methods were applied to study the electronic structure, linear and nonlinear optical (NLO) polarizabilities of the synthesized Schiff bases. The 2AP3Cl and 2AP5Cl molecules exhibited good NLO hyperpolarizability of 9.62 × 104 and 7.90 × 104 au., respectively. The calculation of molecular electrostatic potentials, 3-D visualization of frontier molecular orbitals, and their orbital gaps were also studied. Overall, reasonably good third-order NLO response properties were calculated, which show a decent potential of synthesized compounds for their potential for NLO applications. [Display omitted] [ABSTRACT FROM AUTHOR]

Organotin complexes are being extensively studied and screened for their therapeutic potential. Although many recent advances and achievements in this field have been made, the exact mode of action of these complexes is yet to be unveiled. In the present review, an attempt has been made to correlate the therapeutic properties of organotin complexes with their structural features and the environment in which these interact with biological systems. The mechanism, various modes of interaction with biological systems, and physiological target sites of organotin complexes have been highlighted as well. [ABSTRACT FROM AUTHOR]

Three diorganotin(IV) complexes of general formula R 2 Sn[(O)C 10 H 6 CHN 2 CH(O)] have been synthesized by the interaction of dimethyltin(IV) dichloride, diphenyltin(IV) dichloride, di- tert -butyltin(IV) chloride and novel ligand N′-(2-hydroxynaphthalen-1-yl)methylene)formohydrazide in toluene. Spectroscopic and single crystal X-ray studies confirm coordination of dibasic tridentate ligand to the diorganotin(IV) moieties via ONO donor sites and formation of pentacoordinated tin center. Furthermore, antibacterial screening, cytotoxicity assessment and docking study for the synthesized compounds have also been carried out. [Display omitted] Three organotin(IV) complexes [Me 2 SnL(1), Ph 2 SnL(2), tert -Bu 2 SnL(3)] have been synthesized by the reaction of a novel ligand N'-(2-hydroxynaphthalen-1-yl)methylene)formohydrazide (H 2 L) with dialkyltin(IV) dichlorides [R 2 SnCl 2 (R = Me, Ph, tert -Bu) in presence of Et 3 N. The ligand and complexes have been characterized by elemental analysis, mass spectrometry, FT-IR, 1H, 13C and 119Sn NMR spectroscopic techniques. The spectroscopic data suggests coordination of ligand to the diorganotin(IV) moieties via oxygen nitrogen donor sites and five coordinated tin centers. The molecular structures of ligand (H 2 L) and complexes (1, 3) were also confirmed by single crystal X-ray analysis. The solid state structure of ligand showed it to be in the amido form whereas the single crystal X-ray analysis of complexes revealed the dibasic tridentate nature of ligand and monometallic nature of complexes. In both the complexes (1, 3) the Sn atom is in a distorted five-coordinate square pyramidal geometry with trigonality index(τ) 0.33 and 0.41, respectively. Packing diagrams reveal the important role of H ... H, C H ... π and O ... H interactions in generating the supramolecular assembly. The antibacterial potential of all the compounds was investigated against two gram-positive bacteria (Bacillus subtilis, Stephlococcus aureus) and four gram-negative bacterial strains (Escherichia coli, Shigella flexenari, Pseudomonas aeruginosa, Salmonella typhi), using imipenem as the standard drug. Complex 2 exhibited highest activity against Bacillus subtilis and highest cytotoxicity against brine shrimp nauplii with LD 50 1.01 μg/mL. Molecular Docking investigations revealed the best target protein, the positive impact of diphenyltin(IV) moiety on the compound-protein binding and the important role of hydrogen bonding, pi-pi and hydrophobic forces in such type of interaction. [ABSTRACT FROM AUTHOR]

We report one-pot synthesis of zinc(II) complexes with 4-nitrocinnamic acid (HL), [ZnL2(H2O)2] (1), [ZnL2(DMSO)2] (2) and [Zn(en)2(H2O)2]L2(H2O)2(3), where DMSO?=?dimethylsulfoxide and en?=?ethylenediamine. The complexes were prepared by reacting sodium 4-nitrocinnamate with zinc acetate in aqueous medium and characterized by FT-IR, NMR and single crystal X-ray diffraction. The results have shown distorted octahedral geometry for1and3while tetrahedral for2where the carboxylate coordinated bidentate and monodentate in1and2is uncoordinated in3, replaced completely by ethylenediamine. The complexes were also screened for their DNA interaction and alkaline phosphatase (ALP) inhibition using cyclic voltammetry, viscometry and UV–visible spectroscopy. All these techniques indicated strong electrostatic binding of the complexes with DNA. The diffusion coefficients of the complexes decreased on DNA addition indicating binding of the complexes with DNA. The binding constants were also calculated through CV and UV spectra. The complexes were screened for ALP inhibition activity as well, where 80% activity was found for1. The synthesized compounds interact with DNA via intercalative mode of interaction. [ABSTRACT FROM PUBLISHER]

Trimethyl (1), tributyl (2), and triphenyl tin (3) derivatives of sodium (R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate (sodium deoxycholate) were synthesized by refluxing sodium deoxycholate with the corresponding triorganotin(IV) chloride in 1 : 1 M ratio. All the three compounds were characterized by elemental analysis, infrared spectroscopy,1H,13C,119Sn NMR, and X-ray diffraction studies. From FT-IR spectra, Δνvalues proposed bridging or chelating behavior of the ligand. The three compounds gave a trigonal bipyramidal geometry in the solid state and tetrahedral geometry in solution. Single crystal of1showed polymeric trigonal bipyramidal geometry. Synthesized compounds obtained were screened for their antimicrobial and antitumor activities against A2780 cell line. Results revealed that only2showed significant antibacterial activity. However, all the three compounds exhibited promising antifungal and anticancer activities. The synthesized compounds inhibit strong antifungal activity even higher than the standard drug,Turbinafine. Keeping in view their antifungal activity, they might be used as potent antifungal agent. [ABSTRACT FROM AUTHOR]

Reaction of di- n-butyltin oxide with 4,5-dimethoxy-2-nitrobenzoic acid yields the title compound which crystallizes as the usual dicarboxylatotetraorganodistannoxane dimer. Experimental details for the preparation and the structural characterization (by FTIR, NMR and single crystal XRD) are provided. The IR data shows that ligand acts in the bidentate manner. The crystal structure analysis of the compound reveals the presence of a centrosymmetric planar SnO unit connected to exocyclic Sn atom via two bidentate bridging carboxylate ligands. The remaining two carboxylate ligands are coordinated to the exocyclic Sn atom in the monodentate manner. Graphical Abstract: The crystal structure analysis of the title compound reveals the presence of a centrosymmetric planar Sn2O2 unit connected to exocyclic Sn atom via two bidentate bridging carboxylate ligands. The remaining two carboxylate ligands are coordinated to the exocyclic Sn atom in the monodentate manner. [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

The title compound, C8H5NO5, consists of a cyclic diether (1,3-dioxalene) fused to 3-nitro­benzaldehyde. In the crystal structure, symmetry-related mol­ecules are linked by C—H⋯O hydrogen bonds, forming a sheet-like structure parallel to the ab plane. These sheets are further linked by C—H⋯O hydrogen bonds, forming a three-dimensional network. [ABSTRACT FROM AUTHOR]

The crystal structure of the title compound, [Sn(CH3)3(C15H10ClO2)] n, contains polymeric chains along the b axis. The geometry around the Sn atom is distorted trigonal bipyramidal, wherein three methyl groups are bonded to the Sn atom at equatorial positions with essentially identical bond distances [mean Sn—C = 2.119 (6) Å] and two O atoms of the carboxylate ligand are bonded asymmetrically with significantly different Sn—O distances of 2.159 (2) and 2.351 (2) Å. [ABSTRACT FROM AUTHOR]

The Sn atom in the title compound, [Sn(CH3)2(C13H16NS2)2], has a highly distorted octa­hedral geometry that may be best described as skew-trapezoidal planar for thio­carboxyl­ates. The ligands are asymmetrically coordinated to the Sn atom, with shorter Sn—S bond lengths that are very close to the sum of the covalent radii of Sn and S, while the longer Sn—S distances are significantly less than the sum of their van der Waals radii. [ABSTRACT FROM AUTHOR]

The title mol­ecule, C15H18BrNO3, contains a cyclo­hexyl ring in a chair conformation linked to an aromatic ring through an HC=N—CH2 group. The mol­ecular conformation may be partially controlled by an intra­molecular O—H⋯N hydrogen bond, while the crystal structure is stabilized by inter­molecular O—H⋯O hydrogen bonds. [ABSTRACT FROM AUTHOR]

In the title complex, [Sn(C6H5)2(C10H16NS2)Cl], the Sn atom has a distorted trigonal–bipyramidal geometry, with an axial S—Sn—Cl bond angle of 156.87 (3)°. Intra­molecular hydrogen bonding is present between an S atom and the H atom of the amine group. The mol­ecules are linked by an inter­molecular C—H⋯Cl hydrogen bond to form chains extending in the c direction. [ABSTRACT FROM AUTHOR]

The title compound, [Sn(CH3)2(C7H12NS2)2], comprises SnIV coordinated by two 4-methyl­piperidine­dithio­carboxyl­ate ligands and two methyl groups. The coordination geometry around Sn is distorted octa­hedral, with the methyl groups adopting an arrangement inter­mediate between a cis and trans configuration. There are two independent complexes in the asymmetric unit, with closely comparable geometries. [ABSTRACT FROM AUTHOR]

• Di- and tri-organotin(IV) carboxylate derivatives of 3-bromophenylacetic acid are reported. • The reported compounds were evaluated for their antibacterial and anticancer activities. • Molecular structures were determined by X-ray crystallography. • Hirshfeld surface analyses were performed to quantify and visualize any close intermolecular contacts in the molecular structures. In this article, we are reporting a series of di-and tri-organotin(IV) carboxylate complexes (1 – 4) derived from the reaction of sodium-3-bromophenylacetate (NaL) with (CH 3) 2 SnCl 2 , (C 4 H 9) 2 SnCl 2 , (CH 3) 3 SnCl and (C 4 H 9) 3 SnCl in dried toluene while refluxing for 8 h. The desired organotin(IV) derivative were analyzed by elemental analyzer, FTIR, NMR and single crystal XRD. The antimicrobial data against the tested bacterial strains follow the order: 2 > 4 > 3 > 1 > HL. The anticancer potential of the synthesized compounds was evaluated against the lung cancer cell line (A549) and normal lung fibroblast cell line (MRC-5) and it was observed that 4 was the highly cytotoxic against A549 while HL and 1 showed no cytotoxicity against MRC-5, neither at lower or higher concentrations. Di- and tri-organotin(IV) carboxylate derivatives of 3-bromophenylacetic acid have been synthesized. Complexes show higher in vitro antibacterial and cytotoxic activities than the free ligand itself. [Display omitted] [ABSTRACT FROM AUTHOR]

Abstract: A series of new organotin(IV) derivatives; Me3SnL (1), Bu3SnL (2), Ph3SnL (3), Me2SnClL (4), Bu2SnClL (5), Ph2SnClL (6), Et2SnClL (7) and Et2SnL2 (8) where L= N-(2,3-dimethylphenyl)piperazine-1-carbodithioate have been synthesized and characterized by various analytical techniques. Among these techniques, 1H and 13C NMR were carried out to asses solution structures whereas the solid state structures were confirmed by FT-IR and X-ray single crystal analysis (3, 5 and 8). Crystal structure of complex (3) and (5) showed distorted trigonal bipyramidal geometry and square pyramidal geometry, respectively. The inclination of the structure 5 towards square-pyramidal may be due to the presence of the Sn–Cl⋯HN-piperazine hydrogen bonds between the adjacent molecules. A supramolecular structure is shown by compound (8), with central tin atom exists in a distorted octahedral geometry. The antibacterial results indicated the profound activity of the compounds against various strains of bacteria. In addition to this, the triorganotin(IV) derivatives were found more active than diorganotin(IV) compounds. [Copyright &y& Elsevier]

Abstract: A new series of organotin(IV) complexes with 4-benzhydrylpiperazine-1-carbodithioate (L) were synthesised by the metathesis reactions of the ligand-salt with triorganotin(IV) chlorides and diorganotin(IV) dichlorides in the appropriate molar ratio. All the complexes were characterized by elemental analysis, Raman, IR, and multinuclear NMR (1H, 13C and 119Sn) spectroscopy. Solid-state studies (Raman, IR and X-ray analysis) confirmed the bidentate coordination of the ligand in all cases. Multinuclear NMR spectroscopy suggested that some tri- and diorganotin complexes reduce their geometry by one unit in solution. The τ values, 0.6 and 0.24 for chlorodibutyl- and chlorodiethyltin(IV) derivatives, respectively, authenticated the trigonal bipyramidal geometry for the first complex and distorted square-pyramidal geometry for the latter. The low τ value for the chlorodiethyltin(IV) complex is attributed to the additional Sn···Cl and Sn···S intermolecular interactions. The antimicrobial results indicated the compounds are active biologically. [Copyright &y& Elsevier]

The Sn atom in the title compound, [Sn(CH3)2(C15H9Cl2O2)2], has a highly distorted octahedral coordination that may be best described as skew-trapezoid planar for the carboxylates. The ligands are asymmetrically coordinated to the Sn atoms with Sn—O covalent bonds and dative bonds. The mean Sn—C distance for the methyl groups is 2.094 (6) Å, with a bent C—Sn—C angle of 145.77 (11)°. [ABSTRACT FROM AUTHOR]

Eight new organotin( IV) carboxylates of general formula RnSnL4-n have been synthesized by the reaction of respective organotin( IV) oxide/chloride with stoichiometric amount of the ligand, ( E)-2,3-bis(4-chlorophenyl)-2-propenoic acid or its silver salt in dry toluene using Dean and Stark apparatus accordingly. The synthesized carboxylates were characterized using multinuclear (1H, 13C, 119Sn) NMR, FT- IR spectroscopies and mass spectrometry in combination with the elemental analysis and melting point determination. The data reveal that tri- and diorganotin( IV) carboxylates adopt penta- and hexa-coordination around tin moiety in solid states, respectively. All compounds were preliminary screened for antimicrobial, antifungal, and cytotoxicity studies, and some of the compounds exhibit promising results. [ABSTRACT FROM AUTHOR]

A new series of di- and tri-organotin(IV) compounds with the general formula R SnL, where R = Me ( 1, 2), Et ( 3), n-Bu ( 4, 5), n-Oct ( 6), Ph ( 7) and L = ( E)-3-(4-methoxyphenyl)-2-(4-chlorophenyl)-2-propenoate, were synthesized by reaction of silver salt of ligand or ligand acid with diorganotin dichloride/oxide and triorganotin chloride in 2:1 and 1:1 molar ratio, respectively. These compounds were characterized by elemental analyses, FT-IR, multinuclear (H, C, Sn) NMR and mass spectrometry. The spectroscopic results revealed that all the diorganotin(IV) compounds possess trigonal bipyramidal structures in solution and octahedral geometry in the solid state around the tin atom. A linear polymeric trigonal bipyramidal structure in the solid state and a tetrahedral environment around the tin atom in non-coordinating solvents has been proposed for the triorganotin(IV) compounds. All synthesized compounds were tested in vitro against a number of microorganisms to assess their biocidal activity. These studies revealed that ligand acid and some of its organotin compounds show promising activity against different strains of bacteria and fungi but lowered than reference drugs. [ABSTRACT FROM AUTHOR]

The two bromo­phenyl rings in the title compound, C13H10Br2N2S, adopt a cis– cis configuration to S with respect to the C—N thio­urea bonds. The crystal packing is characterized by N—H⋯S hydrogen bonds. [ABSTRACT FROM AUTHOR]

The two o-tolyl groups in the title compound, C15H16N2S, are trans with respect to the thio­urea unit. The asymmetric unit consists of two mol­ecules linked by N—H⋯S hydrogen bonds into dimers. [ABSTRACT FROM AUTHOR]

Abstract: Zinc(II) complexes of thiones having the general formula [ZnL2Cl2] where L= N-methylthiourea (Metu), N,N′-dimethylthiourea (Dmtu), tetramethylthiourea (Tmtu), N,N′-diethylthiourea (Detu), and diazinane-2-thione (Diaz), were prepared by reacting ZnCl2 with the corresponding thiones. They were characterized by elemental analysis, IR and NMR spectroscopy and two of them {[(Tmtu)2ZnCl2] (1) and [(Diaz)2ZnCl2] (2)} using X-ray crystallography. The spectral data suggests that the coordination of thiones to zinc(II) occurs through the sulfur atom as indicated by an up field shift in the Cce of thiones in 13C NMR and downfield shift in N–H resonance in 1H NMR. The crystal structures of the complexes show a tetrahedral coordination environment around the zinc atoms with the bond angles ranging from 99.33(5)° to 116.81(7)°. Antimicrobial activities of the complexes were evaluated by minimum inhibitory concentration and the results showed that the complexes exhibited significant activities against gram-negative bacteria (Escherichia coli, Pseudomonas aeruginosa) and yeasts (Candida albicans, Saccharomyces cerevisiae). However, moderate activity was observed against molds (Aspergillus niger, Penicillium citrinum). The complexes were also tested for inhibition activity against an enzyme, Alkaline Phosphatase EC 3.1.3.1 and were found to be active inhibitors. [Copyright &y& Elsevier]

The structure of n-BuSn(2-methyl-3,5-dinitrobenzoato) ( 1) presents a rare structural motif for compounds with the general formula RSn(OC R′) which almost exclusively adopt skew-trapezoidal bipyramidal geometries. By contrast, the structure of ( 1) is polymeric with the polymer backbone comprising eight-membered {SnOCO} rings linked at the pivotal tin atoms. The coordination geometry is octahedral trans-CO. The relationship between structural motifs for RSn(OC R′) is discussed. Compound ( 1) crystallizes in the monoclinic space group P2/ c with a = 5.0114(2) Å, b = 13.7120(5) Å, c = 19.5956(7) Å, β = 91.385(2)º, and Z = 2. Graphical Abstract: A rare polymeric motif is found for the title compound which features octahedral tin centers and bidentate bridging carboxylate ligands.[Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

Abstract: The paper describes the synthesis and structural characterization of six new diorganotin(IV) compounds 1–6, [R2SnL] and a monoorganotin(IV) derivative, C4H9SnClL (7). Here L = N′-(5-bromo-2-oxidobenzylidene)-N-(oxidomethylene)hydrazine ligand with ONO tridentate chelation capability and R = CH3 (1), C2H5 (2), n-C4H9 (3), C6H5 (4), C8H17 (5), tert-C4H9 (6), The packing diagram offers a supramolecular structure for 1 and a dimeric structure for 4 with distorted square-pyramidal and distorted trigonal geometry, respectively. The different geometry of 1 than 4 can be attributed to the presence of intermolecular non-covalent Sn---O and Sn---H interactions in the former. The antifungal, antibacterial, antiurease and antileishmanial activities of these complexes proved them to be active biologically and may be formulated as new metal-based drugs in future. [Copyright &y& Elsevier]

The title compound was prepared by reacting mercury(II) cyanide and tetramethylthiourea (Tmtu) in the molar ratio of 1:1.75. It was characterized by IR and NMR ( 1H and 13C) spectroscopy, and X-ray crystallography. The appearance of a band around 2,200 cm −1 in IR and a resonance around 145 ppm in 13C NMR indicated the binding of cyanide to mercury(II). The crystal structure of the title complex, [{(tetramethylthiourea) 2Hg(CN) 2} 2·Hg(CN) 2] (1) consists of two independent [(Tmtu) 2Hg(CN) 2] moieties bridged by a Hg(CN) 2 unit. The mercury atom in [(Tmtu) 2Hg(CN) 2] unit is coordinated to two thione sulfur atoms of Tmtu and to two cyanide carbon atoms in a distorted tetrahedral mode. Graphical Abstract: [Figure not available: see fulltext.] [ABSTRACT FROM AUTHOR]

Abstract: Six new diorganotin(IV) derivatives of N′-(2-hydroxybenzylidene)formohydrazide (H2L) with general formula R2SnL, where R = Ph (1), Me (2), Bu (3), Oct (4), t-Bu (5), Et (6), and L = [OC6H4CHNNCHO] have been synthesized and characterized by different analytical techniques. Crystal structure of Me2SnL (2) authenticated distorted square-pyramidal geometry around the Sn atom. The CV and UV–Vis spectroscopic data indicated intercalation of complexes into DNA with binding affinity varying in the sequence: 3 (1.69 × 104 M−1) > 1 (1.10 × 104 M−1) > 2 (9.61 × 103 M−1). Some of these compounds were found to be good antibacterial, antifungal and leishmanicidal agents. [Copyright &y& Elsevier]

Abstract: This article describes the synthesis of triorganotin(IV)-, chlorodiorganotin(IV)- and diorganotin(IV) 4-ethoxycarbonylpiperazine-1-carbodithioates with general R3SnL {where R=CH3 (1), n-C4H9 (2) and C6H5 (3)}, R2SnClL {where R=CH3 (4), n-C4H9 (5) and C6H5 (6)} and R2SnL2 {where R=CH3 (7), n-C4H9 (8) and C6H5 (9)}, respectively. The coordination behavior of ligand (L) in all compounds was investigated by different analytical techniques such as FT-IR and multinuclear NMR. X-ray single crystal analysis confirmed supramolecular structure for compounds (3) and (4) with distorted trigonal-bipyramidal and distorted square-pyramidal geometries, respectively. The compounds have pronounced antimicrobial (antibacterial and antifungal) potency and moderate insecticidal activity. These compounds also inhibit effectively the activity of urease enzyme. [Copyright &y& Elsevier]

Abstract: Metallacyclic palladium(II) complexes [Pd(L)(R3P)Cl], L=TIQDTC (1,2,3,4-tetrahydroisoquinolinedithiocarbamate), 4MpipDTC (4-methylpipradinedithiocarbamate), MPizDTC (N-methylpiperazinedithiocarbamate), R3P=Ph3P, (o-tolyl)3P, Ph2ClP, were synthesized in a 1:1 molar metal–ligand ratio. These complexes were characterized by elemental analyses, FT-IR, multinuclear (1H, 13C and 31P) NMR. The X-ray crystal structures of [Pd(TIQDTC)(Ph3P)Cl] and [Pd(TIQDTC)((o-tolyl)3P)Cl] show a slightly distorted square planar environment around the Pd(II) ion with S–Pd–S and P–Pd–Cl average bond angles of 74.51 and 92.41, respectively. These complexes were screened for cytotoxic, antifungal, anti-inflammatory and antibacterial activity. Some complexes exhibit a significant activity against fungi. [Copyright &y& Elsevier]

Abstract: Four new organotin(IV) carboxylates, [Bu2SnL2] (1), [Et2SnL2] (2), [Bu3SnL] n (3), [Me3SnL] n (4), where L=4-nitrophenylethanoates, were synthesized and characterized by elemental analysis, FT-IR and multinuclear NMR (1H and 13C). Spectroscopic results authenticated the coordination of ligand to the organotin moiety via COO group while X-ray single crystal analysis revealed bidentate chelating mode of coordination of ligand in complex 2 and a bridging behavior in complexes 3 and 4. Cyclic voltammetric (CV) technique was used to evaluate the electrochemical, kinetic and thermodynamic parameters of complexes 1-4, interacting with DNA. The linearity of the plots between the peak current (I) and the square root of the scan rate (ν 1/2) indicated the electrochemical processes to be diffusion controlled. The diffusion coefficients of the free (D f) and DNA bound forms (D b), standard rate constants (ks) and charge transfer coefficients (α) were determined by the application of Randle–Sevcik, Nicholson and Kochi equations. Furthermore, the binding constants evaluated from voltammetric data revealed the following increasing order of binding strength: 2 < 1 < 4 < 3. For 1 and 2, the activity against prostate cancer cell lines (PC-3) was found consistent with the order obtained from voltammetric behavior. [Copyright &y& Elsevier]

In the hexacoordinated title germanium compound [alternatively called (butanoato-κ2 C3, O)bis(8-quinolato-κ2 N, O)germanium(IV)], [Ge(C9H7NO)2(C4H6O2)], the Ge atom adopts a slightly distorted octahedral geometry, where the Ge—N coordinate covalent bonds [mean 2.079 (8) Å] are significantly longer than the Ge—O [mean 1.904 (8) Å] and Ge—C [1.976 (3) Å] covalent bonds. [ABSTRACT FROM AUTHOR]

Highlights from the article: The potassium metal ion is forming a bond with a nitrogen atom of azine nitrogens, Potassium metal ion is forming seven bonds through K(1)-S(3)#3 3.2481(14) N(1)#2-K(1)-S(3)#3 142.11(8) K(1)-S(1)#1 3.3129(14) O(1)-K(1)-S(1)#1 148.10(8) K(1)-S(1) 3.3475(14) C(1)-S(1)-K(1) 96.04(13).

The geometry around the Sn atom of the title compound, [Sn(C6H5)3(C7H2ClN2O6)], is distorted tetra­hedral, with Sn—C distances lying in the range 2.124 (2)–2.119 (2) Å and an Sn—O distance of 2.0645 (15) Å. [ABSTRACT FROM AUTHOR]

The title compound, [Sn(C4H9)3(C2H3O2)] n, forms characteristic polymeric chains, in which Sn atoms are bridged by acetate groups, bonding through both O atoms. The coordin­ation geometry of the Sn atom is slightly distorted trigonal bipyramidal. The butyl groups occupy the equatorial positions, with Sn—C bond lengths in the range 2.115 (10)–2.129 (9) Å, while the axial Sn—O bond lengths are 2.178 (5) and 2.422 (5) Å. [ABSTRACT FROM AUTHOR]