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Abstract Organotin (IV) derivatives of carboxylate ligand, 4-(4-methoxyanilino)-4-oxobutanoic acid, have been synthesized and characterized by FTIR, NMR, CHN analysis, mass spectrometry and X-ray crystallography. Single crystal data of four compounds (1–4) displayed a distorted trigonal bipyramidal environment around Sn with the three equatorial positions occupied by alkyl group. In compounds 1–3 , carboxylate oxygens of ligand play the role of a bridge between the adjacent tin atoms symmetrically giving a polymeric chain structure. In compound 4 , oxygen of the amide carbonyl moiety perform the same function and bridges the adjacent tin atoms [Sn O = 2.155 (3) and 2.428 (3) Å, respectively], with the three phenyl ipso -C atoms defining the trigonal plane and the axial positions occupied by O atoms [O1 Sn O3 = 177.62 (11) Å]. The τ values calculated for complexes 1–4 are 0.78, 0.77, 0.82 and 0.92, respectively, also confirm the trigonal bipyramidal geometry. The antimicrobial results of the synthesized compounds illustrate their use as a potential antimicrobial agent. The DNA interaction study performed by UV–visible spectroscopy as well as by molecular docking suggests the tested compounds interact with DNA through intercalation mode. The compounds were screened for anticancer activity performed against lung carcinoma and Vero cell lines resulting in activity that is almost equivalent to that of the standard, vincristine. The biological significance of these compounds is that there affect on the normal cell line is very small i.e., <27.1%. The compounds also exhibit good inhibition of urease enzyme. A good correlation was observed between the docking scores and biological activities of these compounds. Graphical abstract The synthesized organotin (IV) carboxylates display a wide range of attractive results including as DNA intercalator, Urease inhibitors, Anticancer agents and Antimicrobial agents. Overall there is a good correlation between the biological activities and docking studies. Image 1 Highlights • Synthesis of novel organotin (IV) carboxylates. • Spectroscopic characterizations and structural elucidation. • Interaction with SS-DNA via intercalative mode of interaction. • In vitro antibacterial, anticancer, urease inhibition and antileishmanial activity. • Molecular docking study. [ABSTRACT FROM AUTHOR]

Six new homobimetallic bis-diorganotin(IV) complexes: [MeSn]L ( 1), [EtSn]L ( 2), [ n-BuSn]L ( 3), [PhSn]L ( 4), [OctSn]L ( 5) and [ n-BuClSn]L ( 6) ( H L=N′, N′- bis(2-hydroxybenzylidene)adipodihydrazide) have been synthesized and structurally characterized by means of elemental analysis, mass spectroscopy, FT-IR, NMR (H, C{H}, Sn) and single-crystal X-ray diffraction. Spectroscopic studies indicate coordination of the ligand to the diorganotin(IV) moieties via iminolic oxygen, nitrogen and phenolic oxygen atoms generating pentacoordinated tin centers. Single-crystal X-ray analysis of ( 1) revealed homobimetallic nature of complex with dimethyltin moieties oriented in trans-conformation. The ligand is non-planar with each Sn atom in a distorted square pyramidal coordination geometry. Packing diagrams suggest the essential role of C-HN and C-HO interactions in generating supramolecular assembly. The ligand and complexes were screened for in vitro antimicrobial activity and cytotoxicity. Compound ( 4) exhibits highest cytotoxicity. [ABSTRACT FROM AUTHOR]

This paper reports the synthesis, X-ray crystal structure, DNA-binding, antibacterial and antifungal studies of a rare dihydroxo-bridged dinuclear copper(II) complex including 1,10-phenanthroline (Phen) ligands and phenylacetate (L) anions, [Cu 2 (Phen) 2 (OH) 2 (H 2 O) 2 ].2L.6H 2 O. Structural data revealed distorted square-pyramidal geometry for each copper(II) atom with the basal plane formed by the two nitrogen atoms of the phenantroline ligand and the oxygen atoms of two bridging hydroxyl groups. The apical positions are filled by the oxygen atom from a water molecule. This forms a centrosymmetric cationic dimer where the uncoordinated phenylacetate ligands serve to balance the electrical charge. The dimers interact by means of hydrogen bonds aided by the coordinated as well as uncoordinated water molecules and phenyl-acetate moieties in the crystal lattice. The binding ability of the complex with salmon sperm DNA was determined using cyclic voltammetry and absorption spectroscopy yielding binding constants 2.426 × 10 4 M −1 and 1.399 × 10 4 M −1 , respectively. The complex was screened against two Gram-positive ( Micrococcus luteus and Bacillus subtilis ) and one Gram-negative ( Escherichia coli ) bacterial strains exhibiting significant activity against all the three strains. The complex exhibited significant, moderate and no activity against fungal strains Mucor piriformis , Helminthosporium solani and Aspergillus Niger , respectively. These preliminary tests indicate the competence of the complex towards the development of a potent biological drug. [ABSTRACT FROM AUTHOR]

A novel polymeric complex has been synthesized by refluxing disodium acetylene dicarboxylate with tributyltin chloride in dry methanol. The solid-state structure of the complex has been determined by single-crystal X-ray analysis. The tin(IV) metal exhibits distorted trigonal bipyramidal geometry. Each carboxylate group of the ligand acts in a bidentate fashion, linking adjacent metal atoms to produce polymeric chains, which are cross-linked into a three-dimensional network. [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]

A new series of organotin(IV) complexes of aniline derivatives, R2SnL2 and R3SnL [where R = Me, n-Bu, n-Oct, and Ph], have been synthesized by the reaction of ligand acid with respective organotin halides in the presence of triethylamine as base or dioctyltin oxide using a Dean-Stark trap for the removal of water under reflux conditions. Experimental details for the preparation and characterization, including elemental analysis, IR, semi-empirical study, multinuclear NMR (1H, 13C, and 119Sn spectra and EI mass spectral studies) of all reported complexes are provided. The IR data indicate that in both di- and triorganotin(IV) carboxylates, the ligand moiety -COO acts as a bidentate group in the solid state. Multinuclear NMR data show that triorganotin complexes exhibits a four-coordinated geometry, while diorganotin(IV) complexes show a coordination number greater than four, probably five or six, in solution state. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file. [ABSTRACT FROM AUTHOR]

Di-(1, 3, 8) and triorganotin(IV) complexes (2, 5, 7) with the general formula RnSnL4-n, where R = Me, Et, n-Bu, n-Oct, Ph, and Bz, and L = the n-C4H9OCOC6H4COO- monoanionic ligand have been synthesized by the reaction of the silver salt of the n-butylhydrogen phthalate with di- and triorganotin chloride in dry chloroform. However, di-n-butyl- and di-n-octyltin(IV) derivatives (4 and 6, respectively) were synthesized by the reaction of the corresponding organotin(IV) oxide with n-butylhydrogen phthalate in dry toluene. All the synthesized complexes were characterized by elemental analysis, FT-IR, multinuclear (¹H, 13C, 119Sn) NMR, and mass spectrometric techniques to assess the binding mode of the n-butylphthalate (n-C4H9OCOC6H4COO-) anion. The diorganotin(IV) derivatives were found to adopt distorted octahedral and triorganotin(IV) n-butylphthalates and to have linear, polymeric trigonal bipyramidal structures in which n-butylphthalate is a monoanionic bidentate coordinating through the C(O)O group. The biocidal activity and LD50 values of the synthesized compounds are also reported. Some complexes exhibited good activity comparable to that of standard drugs. Furthermore, triorganotin(IV) derivatives exhibited significantly better activity than the diorganotin(IV) derivatives. [ABSTRACT FROM AUTHOR]

Organotin(IV) derivatives of the general formulae R2SnL2 and R3SnL where R = Me, n-Bu, n-Oct, Ph and Bz and HL = 4-bromomaleanilic acid have been synthesised. These compounds were characterized by elemental analyses, infrared, multinuclear (1H, 13C, 119Sn) NMR and mass spectrometry. Biological screenings were performed in order to establish their biological activity. [ABSTRACT FROM AUTHOR]

• Synthesis of mononuclear and poly-nuclear copper(II) complexes. • Characterization through FT–IR, UV–Visible, ESR, electrochemical and powder and single crystal XRD techniques. • Structural description. • DNA-binding, antibacterial studies and DFT studies. Polynuclear copper(II) complexes [Cu(para -fluorophenyl acetate) 2 n (1) and [Cu(para -nitrophenyl acetate) 2 n (2) were converted in-situ to mono-nuclear complexes [Cu(para -fluorophenyl acetate) 2 (1,10-Phenanthroline)(H 2 O)] (3) and [Cu(para -nitrophenyl acetate) 2 (2,2́-Bipyridine)(H 2 O)].3H 2 O (4). The complexes were isolated in quantitative yield, purified and characterized using FT-IR, absorption, electrochemical, electron paramagnetic resonance and powder XRD techniques yielding results in accordance with structural data. Structures of 1 and 2 consist of directly interlinked paddlewheel units with square pyramidal geometry while those of 3 and 4 are mononuclear with octahedral and square pyramidal geometry around Cu. Fluorinated complexes 1 and 3 were found to consist of extensive intermolecular interactions while 2 and 4 contained no such interactions. Their optical band gap was around 1.4 eV which indicates semiconducting property of the complexes. Moreover, the flourous complex 3 was found to possess significant activity against Bacillus subtilis and Escherichia coli and good activity against Micrococcus luteus. A similar trend was observed in their DNA-binding potency studied through absorption as well as electrochemical solution studies yielding K b values 1.494 × 104, 1.342 × 104 and 1.411 × 104 M−1 and 7.547 × 104, 2.457 × 104 and 3.667 × 104 M−1 for 1–3, respectively. The electronic structures of the complexes elucidated using density functional theory ab -initio calculations confirmed the Intermediate states which play important role in the enhancement of the optoelectronic properties. The structure and properties of the flourous complexes were found different than their non-flourous analogues which was attributable to fluorine. [ABSTRACT FROM AUTHOR]

Two new binuclear Cu(II) complexes Cu2L4(DMS)2 (1) and Cu2L4(3BrPy)2 (2) where L = para-chlorophenyl acetate, DMS = dimethylsulfoxide and 3BrPy = 3-bromopyridine have been synthesised and characterised using FT-IR, single crystal XRD analysis, absorption and conductance studies. In both the complexes copper(II) ion lies in distorted square pyramidal geometry where the apical position is occupied by pyridine in monodentate fashion while the equatorial positions are occupied by four carboxylate ligands in bidentate coordination mode. The supramolecular structures of the complexes arise primarily as a result of C–H...O and H–C...H types of interactions and are different owing to the different apical ligands. The DNA-binding activity of the complexes has been studied through absorption spectroscopy, viscometry and competitive ethidium bromide displacement techniques. These techniques indicated a mixed electrostatic and intercalative mode of interaction with DNA-binding constant values Kb of 1.98 × 104 M−1 and 2.86 × 104 M−1 for complexes 1 and 2, respectively. These activities represent the preliminary biological relevance of the synthesised complexes. [ABSTRACT FROM AUTHOR]

A series of tri- and diorganotin(IV) derivatives of 4-(2-thienyl)butyric acid have been synthesized by the reaction of ligand acid with tri- and diorganotin salts in 1:1 and 2:1 molar ratios, respectively. The synthesized compounds have been confirmed by CHNS elemental analyses, FTIR, multinuclear NMR (H and C) spectroscopy and X-ray diffraction studies. NMR data reveal a 5-coordinate geometry for the triorganotin(IV) derivatives, while 6-coordinate for the diorganotin(IV) derivatives, respectively. The X-ray crystallographic analysis of the compound 2 showed polymeric 5-coordinate trigonal bipyramidal geometry. Antimicrobial studies were also evaluated against different strains of bacteria ( Escherichia coli, Klebsiella pneumoniae, Bacillus subtilis and Staphylococcus aureus) and fungi ( Mucor species, Aspergillus solani, Helminthosporium oryzae, Aspergillus flavus, Aspergillus niger) to establish the biological significance of these compounds. The synthesized compounds probably work by interfering with the ability of bacteria to form cell walls by keeping unwanted substances from entering their cells and stop the contents of their cells from leaking out due which the bacteria get die. The antifungal activity of some of the tested compound is comparable to that of the standard drug, terbinafine. From their antimicrobial results, it was concluded that they might be used as potential candidate for the generation of new antimicrobial drugs. [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 complex, [Sn(C4H9)2(C11H12N3O2S2)Cl], features an asymmetrically chelating thio­carboxyl­ate ligand. There are two molecules in the asymmetric unit. The Sn atom is five-coordinated within a C2ClS2 donor set that is best described as trigonal–bipyramidal with one S atom and the Cl atom in axial positions, subtending bond angles of 155.67 (2) and 155.11 (2)°, respectively. [ABSTRACT FROM AUTHOR]

The mol­ecule of the title compound, [Sn(C4H9)2(C15H9ClFO2)2], has a skewed-trapezoidal planar geometry, defined by four O donors from the carboxyl­ate ligands and two C atoms from the n-butyl groups. The C—Sn—C bond angle is 133.95 (12)°. The O atoms of the carboxyl­ate ligands are bonded asymmetrically to Sn, with significantly different Sn—O distances; the values for the shorter are 2.0914 (18) and 2.1134 (19) Å, while the longer Sn—O distances are 2.513 (2) and 2.650 (2) Å. [ABSTRACT FROM AUTHOR]

A series of new tri- and diorganotin(IV) derivatives of an S-donor ligand with the formulae Me 3 SnL ( 1 ), n -Bu 3 SnL ( 2 ), Ph 3 SnL ( 3 ), Me 2 SnClL ( 4 ), Bu 2 SnClL ( 5 ), Ph 2 SnClL ( 6 ) and Me 2 SnL 2 ( 7 ) were prepared by the reaction of organotin(IV) chlorides with the ligand L = 4-[bis(4-flourophenyl)methyl]piperazinium 4-[bis(4-flourophenyl)methyl]piperazine-1-carbodithioate, refluxing for 6–7 h, using dry toluene as a solvent. The synthesized compounds were characterized by elemental analysis (CHN), FT-IR, multinuclear NMR ( 1 H and 13 C) and single crystal X-ray crystallography. The NMR study reveals a four coordinated geometry in the solution state for complexes 1 – 7 . It was also concluded from the crystallographic data that the synthesized complexes exhibit four coordinated monodentate structures in the solid state. A DNA binding study was performed by UV–Visible spectroscopy, viscometric measurements and cyclic voltammetry. These techniques showed an intercalative mode of interaction for the compounds with SS-DNA. A new and efficient strategy to identify pharmacophores and anti-pharmacophores sites in dithiocarbamates derivatives for antibacterial/antifungal activity using Petra, Osiris and Molinspiration (POM) analyses was also carried out. The synthesized complexes have negative values of miLog P which indicate their ability to penetrate through bio-membranes. Parameters like miLog P and TPSA for the studied complexes fall in a range that is to be expected for compounds predicting oral absorption of a drug, which means they have good bioavailability. Based on the four precise criteria (GPCR ligand, ion channel modulator, Kinase inhibitor and nuclear receptor ligand) the synthesized compounds are expected to have drug properties. [ABSTRACT FROM AUTHOR]

Four new zinc(II) complexes formulated as [Zn(L)2] (1), [Zn(L)2(phen)] (2), [Zn(L)2(bipy)H2O] (3), and [Zn(en)2(H2O)2](L)2(H2O)2(4), where HL = 4-methyltrans-cinnamic acid, bipy = 2,2′-bipyridine, phen = 1,10-phenanthroline, and en = ethylenediamine, have been synthesized and characterized by FT-IR and NMR spectroscopy. Single-crystal XRD revealed distorted square-pyramidal structure for3and octahedral for4. The complexes were screened for DNA interaction via viscommetry and UV–visible spectroscopy. The apparent binding constants were calculated to be 1.18 × 104, 1.26 × 105, 4.64 × 104,and 1.89 × 104for1–4, respectively. The binding propensity to salmon sperm DNA was in the order: K2 > K3 > K4 > K1. Furthermore, these complexes demonstrated efficient inhibition of alkaline phosphatase, which was attributed to the binding of zinc(II) to the enzyme’s active site. [ABSTRACT FROM AUTHOR]

Abstract: The reaction of the sodium salt of para substituted phenyl acetic acid with CuSO4 in water and subsequent treatment with pyridine gives binuclear centro-symmetric complexes pyCu(R–C6H4CH2COO)4Cupy, where R=4-OMe (1) and 4-Cl− (2). The structures of both complexes were solved by X-ray single crystal analysis. The frame of the complexes is constructed as a dimeric ‘paddle-wheel’ with four carboxylate bridges. The apical position is occupied by a pyridine ligand and there is a Cu–Cu bond as well. The compounds demonstrated one-electron redox behavior and their peak currents were found to increase linearly with the square root of the sweep rate (ν 1/2). The overall electrode processes were found to be activation plus diffusion controlled. The values of the formal potential (E ´), diffusion coefficient (D) and heterogeneous rate constant (k°) were evaluated for the electroreduction process for both the compounds. [Copyright &y& Elsevier]

Abstract: A series of mononuclear organotin(IV) complexes of the types, R3SnL {R=C4H9 (1), C6H11 (2), CH3 (3) and C6H5 (4)}, R2SnClL {R=C4H9 (5), C2H5 (7) and CH3 (9)} and R2SnL2 {R=C4H9 (6), C2H5 (8) and CH3 (10)}, have been synthesized, where L=4-(4-methoxyphenyl)piperazine-1-carbodithioate. The ligand-salt and the complexes have been characterized by Raman, FT-IR and multinuclear NMR (1H, 13C and 119Sn) spectroscopy and elemental microanalysis (CHNS). The spectroscopic data substantiate coordination of the ligands to the organotin moieties. The structures of complexes 4 and 6 have been determined by single-crystal X-ray diffraction and illustrate the asymmetric bidentate bonding of the ligand. The packing diagrams indicate O···H and π···H intermolecular interactions in complex 4 and intermolecular S2C···H interactions in complex 6, resulting in layer structures for both complexes. A subsequent antimicrobial study indicates that the compounds are active biologically and may well be the basis for a new class of fungicides. [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]

Abstract: Six organotin(IV) compounds with general formulae R3SnL, R=Me (2), Ph (6), R2SnL2, R=Me (1), Et (3), n-Oct (5), [((R2SnL)2O)2], R=Bu (4), L=6-nitropiperonylate, have been prepared. The newly synthesized compounds have been characterized by elemental analysis, FT-IR and multinuclear NMR (1H, 13C and 119 Sn). The structure of 4 has been determined by single crystal X-ray crystallography which is triclinic with the space group . The crystal structure contains centrosymmetric dimer distannoxane with planar central four-membered Sn2O2 core. The 6-nitropiperonylate ligand shows different modes of coordination with Sn, as a result the central Sn2O2 core is fused with two four-membered (Sn(1)–O(1)–Sn(2)–O(13)) and two six-membered (Sn(1)–O(13)–Sn(2)–O(8)–C(9)–O(7)) rings. The endocyclic Sn(2) is six coordinated in a skew trapezoidal bipyramidal environment while exocyclic Sn(1) is five coordinated with distorted trigonal bipyramidal geometry. The ligand acid and synthesized organotin compounds were also screened for antibacterial, antifungal, brine-shrimp lethality and potato disc antitumor activities. Results of bioassay demonstrate that organotin derivatives are in general more active than the ligand acid. [Copyright &y& Elsevier]

Coordination complexes of transition metals (Co, Ni, Cu, Fe, Cr, Ru, Ir, Mn, and Zn) with 6-methoxy-α-methyl-2-naphthalene acetic acid (Naproxen) and triphenylphosphine have been synthesized and characterized by conductance, elemental analysis, UV-Vis, AAS, and FT-IR spectroscopy. The elemental analyses data reveal the presence of 1:1 (metal : ligand) stoichiometry and the IR data suggest that naproxen functions as a bidentate ligand in coordination with transition metals. The anti-inflammatory assays of these complexes have significant effect. [ABSTRACT FROM AUTHOR]

The synthesis, spectroscopy, and antitumor behavior of organotin(IV) complexes of 2,3-methylenedioxyphenylpropenoic acid are described. The spectroscopic data indicate 1 : 2 and 1 : 1 metal to ligand stoichiometry in case of di- and trioganotin(IV) compounds and hypervalency of Sn(IV) in trigonal bipyramidal and octahedral modes. Mass spectrometric and elemental analysis data support the solid and solution spectroscopic results. The complexes have been evaluated in vitro against crown gall tumor and bio-activity screenings showed in vitro biological potential. The nature of covalent attachments (methyl, ethyl, n-butyl, phenyl, and n-octyl) of Sn(IV) played a decisive role for bioactivity. All the compounds have been studied in solution by NMR (1H, 13C) and also in solid state using FTIR, mass spectrometry, and by X-ray crystallography. The molecular structure of Et2Sn(IV) and Me3Sn(IV) derivatives confirm the behavior of di- and tri-organotin(IV) compounds in solid state. Mono-organotin derivatives are octahedral both in solid and solution. [ABSTRACT FROM AUTHOR]

Abstract: A series of organotin(IV) carboxylates, [Bu2SnL2] (1), [Et2SnL2] (2), [Me2SnL2] (3), [Bu3SnL] n (4), [Me6Sn2L2] n (5), [Ph3SnL] n (6) and [Oct2SnL2] (7), where L=O2CCH2C6H4OCH3-4, have been synthesized. These complexes have been characterized by elemental analysis, FT-IR and multinuclear NMR (1H, 13C and 119Sn). Based on spectroscopic results, the ligand appeared to coordinate to the Sn atom through COO moiety. Single crystal analysis has shown a bridging behavior of ligand in tributyl- and trimethyltin(IV) derivatives, and a chelating bidentate mode in diethyltin(IV) complex. Bioassay results have shown that these compounds have good antibacterial, antifungal and antitumor activity. The activity against prostate cancer cell lines (PC-3) decreased in the order 1 > 5 > 2 > 3 > 7. [Copyright &y& Elsevier]

New organotin(IV) complexes with 2-[(2',6'-diethylphenylamido)]benzoic acid (HL1) a nd 3-[(2' ,6'-diethylphenylamido)]propanoic acid (HL2) were synthesized by the reaction of di- and triorganotin salts in the presence of triethylamine as base or dioctyltin oxide using a Dean and Stark trap for the removal of azeotropic water. All complexes were characterized by elemental analysis, IR, NMR, and mass spectral studies, and proof that tin-ligand coordination involves only the carboxylate group and complexes show hexa-coordinated geometry in solid state. Multinuclear NMR data show that triorganotin complexes exhibit 4-coordinated geometry while diorganotin complexes show a coordination number greater than 4, probably 5 or 6 in solution state. These complexes were screened to check their antimicrobial activity in vitro. The complexes of 2-[(2',6'-diethylphenylamido)]benzoic acid (HL1) were also checked for their insecticidal and anti-leishmanial activity. All the complexes show significant activity with few exceptions. [ABSTRACT FROM AUTHOR]

Some new di- and tri-organotin(IV) derivatives of 4 different non-steroidal anti-inflammatory drugs (NSAIDs) with the general formulae R2SnL2 and R3SnL (where R = n-C8H17 and C6H5CH2) and L = 2-[(2,3-dimethylphenyl)amino]benzoic acid 2-(2-fluoro-4-biphenyl)propionic acid, 2-(4-isobutylphenyl) propionic acid and 2-(3-benzoylphenyl)-propionic acid were synthesized. These compounds were structurally characterized by infrared and multinuclear NMR (1H, 13C, 119Sn) spectroscopies and mass spectrometry. The isotopic effect of tin was studied by comparison of experimental data with the simulated isotopic pattern using the Chemtool software package. These compounds were also screened against different animal and plant pathogens to study their biological activity. LD50 data show that the reported compounds have significant toxicity. [ABSTRACT FROM AUTHOR]

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]

A series of tri-, chlorodi-, and diorganotin(IV) derivatives of 4-(2-methoxyphenyl)piperazine-1-carbodithioate (L) {R = n-C4H9 (1), C6H11 (2), CH3 (3) and C6H5 (4)}, (n-C4H9)2SnClL (5) and R2SnL2 {R = n-C4H9 (6), C2H5 (7), CH3 (8)} have been synthesized by refluxing organotin(IV) chlorides with the ligand-salt in the appropriate molar ratio. Elemental analysis, Raman, IR, multinuclear NMR (1H, 13C and 119Sn), mass spectroscopic, and single-crystal X-ray crystallographic studies were undertaken to elucidate the structures of the new compounds both in solution and in the solid state. The X-ray diffraction work reveals supramolecular structures for 4 and 6, with distorted trigonal-bipyramidal and distorted octahedral geometries around Sn, respectively. The ligand and several of the new compounds are good antimicrobial agents. [ABSTRACT FROM PUBLISHER]

Inhibition effects of novel organotin(IV) esters of ( E)-4-oxo-4-((3-trifluoromethyl)phenyl)amino)but-2-enoic acid have been studied against bacterial, fungal, tumoral and insecticidal strains. The complexes have shown potency against all these strains and is attributed to the multiple interactive sites of the ligand that not only change the environment around tin but also can make interactions with DNA. The synthesized complexes were characterized by physical, spectral, analytical and multinuclear nmr (H, C, Sn) data. The X-ray structure analysis of the complex is reported. [ABSTRACT FROM AUTHOR]

Cyclohexylcarbamodithioic acid has been synthesized by the reaction of cyclohexylamine with carbon disulfide at room temperature. Its complexes have been synthesized by the reaction of cyclohexylcarbamodithioic acid with organotin(IV) chlorides in 1 : 1/1 : 2 molar ratio. The ligand and complexes have been characterized by elemental analysis, infrared (IR), and multinuclear (1H, 13C, and 119Sn) NMR spectroscopy. Elemental data show good agreement between calculated and found values of carbon, hydrogen, nitrogen, and sulfur. IR data show that the ligand is bidentate and complexes exhibit a five-coordinate geometry in the solid state, which is also confirmed by semi-empirical studies. NMR data show that the complexes exhibit tetrahedral geometry in solution state. The ligand and its complexes were screened for their in vitro mutagenic, antimicrobial, MIC, antioxidant activities, and cytotoxicity. Biological screening data demonstrate that complexes show significant activity against various bacterial and fungal strains and are good antioxidants. The cytotoxicity data show positive lethality for complexes as compared to ligand and can play a very significant role in drug development. [ABSTRACT FROM PUBLISHER]

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 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]

The mol­ecular structure of the title compound, tetra-μ2-(cyclo­pent-2-en­yl)acetato-1:2κ2 O: O′;1:3κ2 O: O′;2:4κ2 O: O′;3:4κ2 O: O′-octa­ethyl-1κ2 C,2κ2 C,3κ2 C,4κ2 C-di-μ3-oxo-1:2:3κ3 O;2:3:4κ3 O-tetra­tin, [Sn4(C2H5)8(C7H9O2)4O2], is composed of two independent centrosymmetric dimers lying about inversion centers. In each dimer, the central Sn2O2 core is fused with two four-membered (Sn2O2) and two six-membered (Sn2O3C) rings. The endocyclic Sn atoms are six-coordinate in a skew-trapezoidal bipyramidal environment. The exocyclic Sn atoms are five-coordinate and show disotorted trigonal–bipyramidal geometry. The cyclo­pentenylacetate ligand shows different modes of coordination with tin. In both dimers, the Sn—C distances lie in a very narrow range [2.118 (4)–2.134 (4) Å], while the Sn—O distances range between 2.042 (2) and 2.314 (3) Å for strong bonds and between 2.638 (3) and 2.658 (3) Å for relatively weaker Sn—O bonds. [ABSTRACT FROM AUTHOR]

Organotin(IV) carboxylates of the general formula RnSnL4-n (where R = Me, n-Bu or Ph, and L = α-phenyl-2,3-(methylenedioxy)cinnamate anion or 2-(2,3-dimethlylanilino)nicotinate anion) have been prepared. The mono-, di- and tri-organotin(IV) carboxylates were synthesized by the reaction of organotin( IV) oxides or hydroxides with a stoichiometric amount of the ligand acids at an elevated temperature in dry toluene. The composition of the synthesized organotin(IV) complexes, the bonding behavior of the donor groups and structural assignments were studied by elemental analysis, FT-IR, 1H-, 13C-NMR and mass spectrometry. The spectral data suggest that the ligand acts in a bidentate manner, coordinating through the oxygen atoms. These spectroscopic techniques revealed a distorted tetrahedral geometry in the solution state for the tri-organotins, while a mean coordination number between five to six for the di-organotin(IV) dicarboxylates. In the solid phase, the tri-organotins were essentially trigonal bipyramidal polymeric while the di-organotins were octahedral. However, mono-organotin tricarboxylates were predicted to exist in the octahedral state both in solution as well as in the solid phase. [ABSTRACT FROM AUTHOR]

Abstract: The synthesis and characterization of new coordination compounds of some organotin(IV) chlorides with monomethyl phthalate is reported; the ligand molecules appear to be bound to the tin atom through carbonyl oxygen atoms. Their structures have been characterized by elemental analyses, molar conductance, and bonding in these complexes is discussed in terms of their IR, 1H, 13C, 119Sn NMR and 119mSn Mössbauer spectral studies. The spectroscopic results obtained are in full agreement with the proposed 2:1 stoichiometry. The complexes soluble in DMSO have been screened against a wide spectrum of bacteria and the results obtained are quite promising. The LD50 values have also been determined in the albino rats. Some of the complexes also exhibit high anti-inflammatory activity. [Copyright &y& Elsevier]

The crystal structure of the title compound, bis­[μ2-3-(4-methoxy­phenyl)-2-phenyl-2-propenoato]­bis­[3-(4-methoxy­phenyl)-2-phenyl-2-propenoato]­di-μ3-oxo-tetrakis­[di­butyl­tin(IV)], [Sn4(C4H9)8(C17H15O2)4O2], is composed of centrosymmetric dimers in which di­butyl­bis{[3-(4-methoxy­phenyl)-2-phenyl-2-propenoato]­tin} units containing monodentate and bridging bidentate ligands are coordinated to the central Sn2O2 core through its O atoms. Both Sn atoms adopt distorted trigonal bipyramidal geometry, with Sn—C distances lying in a narrow range 2.096 (13)–2.161 (6) Å, while Sn—O distances range between 2.041 (2) and 2.262 (3) Å. [ABSTRACT FROM AUTHOR]