Crystal Structure Of Compound Research Articles

New Ternary Bismuthides NaZnBi and NaCdBi: Synthesis and Crystal Structures

Single crystals of new ternary bismuthides NaZnBi (I) and NaCdBi (II) are obtained by the self-flux technique. Its crystal structures are studied by single-crystal X-ray structure analysis (CIF file CCDC nos. 1956988 (I) and 1956989 (II)). The synthesized compounds form isostructural series with lighter pnictide analogs. Similarly to NaZnPn (Pn = P, As, Sb), compound I crystallizes in the structural type PbFCl, space group P4/nmm, a = 4.5114(5), c = 7.5970(10) A, whereas compound II, as NaCdPn (Pn = As, Sb), can be assigned to the structural type MgSrSi, space group Pnma, a = 8.0812(5), b = 4.8026(3), c = 8.7320(7) A. The crystal structure of compound I consists of antifluorite-like layers [ZnBi] separated by a layer of sodium atoms, whereas hexagonal corrugated [CdBi] layers, which are tightened between each other by Cd–Bi bonds with the formation of channels in which sodium atoms are localized, can be distinguished in the structure of compound II. The crystal structures of the synthesized bismuthides are compared both between each other and with lighter representatives of the isostructural series.

Synthesis, properties and crystal structure of novel Copper(II) ammine complex with [Pd(CN)4]2− building blocks

Abstract The title compound [Cu4(NH3)12-(µ2-CN)8-Pd4(CN)8] was prepared from the aqueous solution Cu2+ – N,N,N′,N′-tetraethylethane-1,2-diamine – [Pd(CN)4]2−, where the addition of excess amounts of ammonia caused the dissolution of the precipitate formed during reaction. Using this method, we prepared and structurally characterized the new complex of Cu(II) containing ammine ligand with tetracyanidopalladate(II) anion incorporated within the molecule. The crystal structure of compound is molecular; the unit cell contains centrosymmetric octanuclear molecules in which all central atoms lies on mirror plane. Generally, the structure of the molecule can be divided into central cyclic part and terminal pendants. The structure contains nitrogen atoms derived from the ammonia molecules coordinated to Copper(II) atoms. They are involved in the formation of N-H···N hydrogen bonds type.

Investigating structural aspects of Pyridopyrimidinone derivatives, an important precursor in medicinal chemistry

Pyridopyrimidinones are class of heterocyclic compounds which serves as important precursors in organic transformation and medicinal chemistry. In the current work three derivatives of pyrido[1,2-a]pyrimidine-3-carboxylates (1, 2 and 3) has been synthesized and characterized by NMR. The crystal structure of compound 1 (C12H12N2O3.HCl) and 2 (2(C12H12N2O3)) were solved in monoclinic system with P21/c space group and 3 (C11H9BrN2O3) shows concomitant polymorphism and solved in orthorhombic system with Pna21 and Pca21. The weak C—H⋯O and C—H…N intermolecular interactions play significant role in crystal packing of 4-Oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxylates. Replacement of methyl group in compound 1 with Bromine atom resulted 3 with increased π…π stacking interactions. The unexpected concomitant polymorphic forms of compounds 3 with details of the crystal structures and supramolecular features are presented. In addition, Hirshfeld surface and 2D fingerprint plots were performed to understand the various intermolecular non-covalent interactions in pyrido[1,2-a]pyrimidine-3-carboxylates.

SYNTHESIS, STRUCTURE, AND PHOTOLUMINESCENT PROPERTIES OF LANTHANIDE (Ln = Dy, Tb) CHLORIDES AND THIOPHENOLATES SUPPORTED BY FORMAMIDINATE LIGANDS

The [Dy(DippForm)2Cl(THF)] (1a) and [Tb(DippForm)2Cl(THF)2] (1b) complexes are synthesized using salt metathesis reactions between lanthanide chlorides and K(DippForm) (DippForm = N,N′-bis(2,6-diisopropylphenyl)formamidinate). In contrast to K(DippForm), a reaction of its less sterically demanding analogue K(MesForm) (MesForm = N,N′-bis(mesityl)formamidinate) with LnCl3 at any ratio of the reagents leads to the formation of the homoligand [Ln(MesForm)3] (Ln = Dy (2a), Tb (2b)) complexes. The [Ln(MesForm)2Cl(THF)] compounds are not isolated. Compounds 1a and 1b are successfully used as starting reagents for the preparation of new thiophenolate complexes [Ln(DippForm)2(SPh)(THF)] (Ln = Dy (3a), Tb (3b)). Crystal structures of compounds 1-3 are determined by single crystal X-ray diffraction. Photoluminescent properties of the complexes obtained are studied. The analysis of the spectra of both DippForm– and SPh– ligands shows an antenna effect for both Dy(III) and Tb(III). However, MesForm– acts as an efficient antenna for Tb(III) rather than Dy(III).

Design, Synthesis, Crystal Structure, and Fungicidal Activity of Two Fenclorim Derivatives

Two fenclorim derivatives (compounds 6 and 7) were synthesized by linking active sub-structures using fenclorim as the lead compound. The chemical structures of the two compounds were confirmed by NMR spectroscopy, high resolution mass spectrometry, and X-ray diffraction analysis. Their fungicidal activity against six plant fungal strains was tested. Compounds 6 and 7 both crystallized in the monoclinic system, with a P21/c space group (a = 8.4842(6) Å, b = 24.457(2) Å, c = 8.9940(6) Å, V = 1855.0(2) Å3, Z = 4) and Cc space group (a = 10.2347(7) Å, b = 18.3224(10) Å, c = 7.2447(4) Å, V = 1357.50(14) Å3, Z = 4), respectively. The crystal structure of compound 6 was stabilized by C–H···N and C–H···O hydrogen bonding interactions and N–H···N hydrogen bonds linked the neighboring molecules of compound 7 to form a three-dimensional framework. Compound 6 displayed the most excellent activity, which is much better than that of pyrimethanil against Botrytis cinerea in vivo. Additionally, compound 6 exhibited greater in vitro activity against Pseudoperonospora cubensis compared to that of pyrimethanil. Moreover, compound 7 exhibited strong fungicidal activity against Erysiphe cichoracearum at 50 mg/L in vitro, while pyrimethanil did not. Compounds 6 and 7 could be used as new pyrimidine fungicides in the future.

A potent synthesis and supramolecular synthon hierarchy percipience of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide and 1-Napthaldehyde: A combined experimental and DFT studies

An adduct of (E)-Nʹ-(Napthalen-1-yl-methylene)-benzenesulfonohydrazide (NMBSH) and 1-naphthaldehyde (NAH) was synthesized using an uncomplicated condensation procedure from the NAH and benzenesulfonylhydrazine (BSH) in a good yield (71.0%) and this was crystallized in EtOH. The adduct compound was characterized using spectroscopic techniques such as 1H NMR, 13C NMR, FT-IR and UV–Vis. Structure of adduct was established by using a single crystal X-ray diffraction method (SC-XRDM). The crystallographic parameters are a = 11.87(2)Å, b = 6.75(8)Å and c = 15.87(2)Å, β = 109.62(2)° and it was resolved in monoclinic crystal system and Pc space group. The molecules undergo hydrogen bonding interaction and π-π interaction in the crystal structure of compound. In order to understand the structural and electronic properties, computational calculations of NMBSH and NAH were carried out. All computational based calculations were performed using the DFT at B3LYP (Becke, 3 parameters, Lee-Yang-Parr) theory with 6-31+G (d,p) basis set. Natural bond orbitals (NBOs) analysis was computed at B3LYP/6-311+G (d,p) method. UV-VIS analysis was conducted by TD-DFT/B3LYP/6-31+G (d,p) level. A good agreement was obtained between the experimental and the computational structural data of NMBSH and NAH. The second order perturbation energies have been obtained by NBO analysis, confirmed interactions and strengthen in the intriguing architectures of NMBSH and NAH. With the help of DFT approach, HOMO-LUMO energies were figured out to obtain electronic insights into the NMBSH and NAH. Moreover, information regarding local as well as global chemical activity, nucleophilic and electrophilic nature of NMBSH and NAH has been obtained. Moreover, an excellent agreement was found between experimental and computational UV-VIS findings. The obtained NLO results indicated that our adduct as NMBSH and NAH displayed stronger response than reference molecule. It could be concluded that this study might be helpful for NLO materials.

CRYSTAL STRUCTURE OF METAL-ORGANIC FRAMEWORKS BASED ON TERBIUM AND 1,4-NAPHTHALENEDICARBOXYLIC ACID

The interaction of terbium nitrate pentahydrate and 1,4-naphthalenedicarboxylic acid (H2ndc) in a solvent mixture under solvothermal conditions yields two new metal-organic frameworks: ((CH3)2NH2)2[Tb3(H2O)(HCOO)(ndc)5]∙3DMF (1) and [Tb4(DMF)(NMP)6(ndc)6] (2) (ndc2– is 1,4-naphthalenedicarboxylate, DMF is N,N-dimethylformamide, NMP is N-methyl-2-pyrrolidone). The crystal structures of compounds 1 and 2 are established by the single crystal X-ray diffraction analysis. Compound 1 is a negatively charged 3D framework in which dimethyl ammonium cations act as counterions. The remaining volume available for solvent molecules is filled with DMF. Compound 2 has a dense layered structure. The luminescence spectrum contains one emission band corresponding to π*– π transitions in the ligand.

Synthesis and crystal structures of 2-(ferrocenyl-carbon-yl)benzoic acid and 3-ferrocenylphthalide.

The title compounds, 2-(ferrocenylcarbon-yl)benzoic acid, [Fe(C5H5)(C13H9O3)], 1, and 3-ferrocenylphthalide [systematic name: 3-ferrocenyl-2-benzo-furan-1(3H)-one], [Fe(C5H5)(C13H9O2)], 2, have been synthesized and structurally characterized by single-crystal X-ray diffraction. The crystal structure of compound 1 was solved recently at room temperature [Qin, Y. (2019 ▸). CSD Communication (CCDC deposition number 1912662). CCDC, Cambridge, England]. Here we report a redetermination of its crystal structure at 90 K with improved precision by a factor of about three. The mol-ecular structures of both compounds exhibit a typical sandwich structure. In the crystal packing of compound 1, each mol-ecule engages in inter-molecular hydrogen bonding, forming a centrosymmetric dimer with graph-set notation R 2 2 (8) and an O⋯O distance of 2.6073 (15) Å. There are weak C-H⋯O and C-H⋯π inter-actions in the crystal packing of compound 2. The phthalide moiety in 2 is oriented roughly perpendicular to the ferrocene backbone, with a dihedral angle of 77.4 (2)°.

Structural and chromotropism properties of copper(II) complexes containing a tridentate ligand

Two dinuclear complexes of [LCu(Cl)(μ-Cl)CuCl3][LCu(Cl)(μ-Cl)CuL(H2O)]Cl, 1 and [LCu(Br)(μ-Br)]2Br, 2, with a tridentate ligand of 3-((pyridin-2-ylmethyl)amino)propanamide, L, were prepared and characterized by physicochemical (elemental analyses, molar conductance measurements, thermogravimetry) and spectroscopic (IR, UV–vis) data. The crystal structures of compounds have been identified by single-crystal X-ray diffraction analyses and showed that the tridentate ligand L functions as an N2O-donor via the nitrogen atoms of the secondary amine and pyridyl moieties together with the oxygen atom of the amide group. The structural geometry about the copper(II) ions is a distorted square pyramid. The compounds are chromotropic and their reversible chromotropism was investigated by utilizing spectral analysis. The halochromism was due to structural change and followed by ionization of the coordinated water molecules and deprotonation of the secondary amine moiety. It was discovered that the solvatochromism of the compounds arisen from the structural change followed by the solvation of the vacant sites of the complexes. The compounds demonstrated ionochromism and sensitivity and selectivity towards CN− and N3− anions in the presence of other pseudo-halide anions.

Composition and Crystalline Structure of Ternary Phases in the Ta–Ni–Al System

The composition and crystal structure of compounds produced by self-propagating high-temperature synthesis (SHS) from the 5Ta–2Ni–3Al (at %) powder mixture followed by vacuum remelting at 3000°C are studied. The SHS product contains the following phases: TaNiAl (Laves τ1 phase), NiAl, Ni2Al3, and Ta. Its microstructure includes Ta85Ni7Al8, Ta52Ni20Al28, and Ta53Ni25Al22 ternary phases according to elemental analysis data. Reflections belonging to no known ternary phases in the Ta–Ni–Al system under consideration are revealed in the X-ray diffraction pattern of the remelted material. Based on the homological approach, it is found that these reflections belong to three phases with the structural types W6Fe7 ( $$R\bar {3}m$$ ), Ti2Ni ( $$Fd\bar {3}m$$ ), and Ta3Al ( $${{P{{4}_{2}}} \mathord{\left/ {\vphantom {{P{{4}_{2}}} {mnm}}} \right. \kern-0em} {mnm}}$$ ). They are identified as reflections of three compounds, Ta6.5Ni6.5, Ti2Ni, and Ta2.84Al0.91, with unit-cell parameters differing from these for the same compounds with the conservation of the structural type. An increase in the unit-cell parameters of all revealed phases is noted when compared with known binary intermetallic compounds. This can be associated with the presence of Al atoms in the crystal lattice from the Ta6.5Ni6.5 phase and Al and Ta atoms in the phase with the Ti2Ni structural type. Phases Ta6.5Ni6.5 and Ti2Ni phases are identified as Ta6Ni6Al and Ta2Ni0.5Al0.5 by X-ray structural analysis and crystal-chemical modeling, and their structural type, composition, and unit-cell parameters are determined. The structure and composition are refined by the full-profile analysis, and the unit-cell parameters of the phases and their quantitative ratio in the material are determined. The phase composition of the material is as follows, wt %: 47 Ta6Ni6Al, 16 Ta2Ni0.5Al0.5, and 37 Ta3Al.

Polyoxometalate-based inorganic-organic hybrids based on a half rigid N-heterocyclic carboxylate ligand: Syntheses, structures and properties

Three new inorganic-organic hybrids constructed from a half rigid N-heterocyclic carboxylate ligand, K[Ag3(HL1)4](Mo8O26) (1), [Ag4(HL1)2(HL2)2(SiMo12O40)] (2) and (H3O)[Ag(L1)2]·2H2O (3) [HL1 = 1-(4-carboxylbenzyl)-3-(pyrazine-2-yl)pyrazole; HL2 = 3-(2-pyrazine)pyrazole], were hydrothermally synthesized and characterized. In compound 1, {K[β-Mo8O26]}n3n− chains fill in the channels of the 3D supramolecular network. In compound 2, HL1 and HL2 coordinate to Ag(I) ions into left- (L) and right-handed (R) helical chains, and (SiMo12O40)4- anions link two neighboring helical chains into a 2D layer structure. The crystal structure of compound 3 is stabilized by hydrogen bonds and π … π interactions, forming a 3D supramolecular network. The luminescent properties of the three compounds have been investigated. In addition, the electrochemical properties of compound 2 have also been investigated.

One-dimensional coordination polymers constructed from copper(II) ions and chromato bridges: Synthesis, crystal structures and thermal analysis

Three 1D coordination polymers, 1∞[Cu(NH3)4CrO4] (1) and 1∞[CuL(H2O)(CrO4)](H2O)(C2H5OH)0.5 with L = bipy (2) and phen (3), have been assembled using chromate(VI) ions as spacers (μ-ĸO:ĸO’ bridging mode). Their crystal structures have been solved. The copper ions in compound 1, whose structure consists of linear chains, show an elongated octahedral geometry, with four ammonia molecules, forming the equatorial plane, and two oxygen atoms arising from two chromato bridges into the apical positions. The ammonia ligands are involved in intramolecular hydrogen bonds with two chromate oxygen atoms, and intermolecular hydrogen bonds with two chromato oxygen atoms from another chain. The crystal structures of compounds 2 and 3 consist of helicoidal chains and solvent molecules. The copper(II) ions in 2 and 3 are five-coordinated (square-pyramidal geometry), with the apical positions occupied by the oxygen atoms from the chromato bridges. Helicoidal chains with opposite chirality are interconnected by π-π stacking interactions established between the organic ligands, resulting in supramolecular layers. The X-band and Q-band EPR spectra of compounds 1–3 are discussed. The total thermal decomposition of these complexes leads to a mixture of CuCr2O4 and CuO, for 1, and of CuCrO2, CuO and Cr2O3, for 2 and 3.

Complex magnetic order in the decorated spin-chain system Rb2Mn3(MoO4)3(OH)2

Macroscopic magnetic properties and microscopic magnetic structure of Rb$_2$Mn$_3$(MoO$_4$)$_3$(OH)$_2$ (space group $Pnma$) are investigated by magnetization, heat capacity and single-crystal neutron diffraction measurements. The compound's crystal structure contains bond-alternating [Mn$_3$O$_{11}$]$^{\infty}$ chains along the $b$-axis, formed by isosceles triangles of Mn ions occupying two crystallographically nonequivalent sites (Mn1 site on the base and Mn2 site on the vertex). These chains are only weakly linked to each other by nonmagnetic oxyanions. Both SQUID magnetometry and neutron diffraction experiments show two successive magnetic transitions as a function of temperature. On cooling, it transitions from a paramagnetic phase into an incommensurate phase below 4.5~K with a magnetic wavevector near ${\bf k}_{1} = (0,~0.46,~0)$. An additional commensurate antiferromagnetically ordered component arises with ${\bf k}_{2} = (0,~0,~0)$, forming a complex magnetic structure below 3.5~K with two different propagation vectors of different stars. On further cooling, the incommensurate wavevector undergoes a lock-in transition below 2.3~K. The experimental results suggest that the magnetic superspace group is $Pnma.1'(0b0)s0ss$ for the single-${\bf k}$ incommensurate phase and is $Pn'ma(0b0)00s$ for the 2-${\bf k}$ magnetic phase. We propose a simplified magnetic structure model taking into account the major ordered contributions, where the commensurate ${\bf k}_{2}$ defines the ordering of the $c$-axis component of Mn1 magnetic moment, while the incommensurate ${\bf k}_{1}$ describes the ordering of the $ab$-plane components of both Mn1 and Mn2 moments into elliptical cycloids

Structural aspects of thermal properties of AgCuS compound

The crystal structure and thermal properties of AgCuS compound were investigated at high temperature ranges. It was found that the crystal structure of these compounds has orthorhombic symmetry with Cmcm space group at the normal condition and room temperature. The phase transition to cubic symmetry with Fm3m space group is observed at [Formula: see text] temperature. The endoeffect was observed with a central peak at [Formula: see text] in the differential thermal analysis. The temperature dependence on heat capacity was obtained in the range of [Formula: see text] temperature. Thermodynamic parameters have been determined: enthalpy and heat capacity. The value of enthalpy was calculated according to the temperature of the phase transition.

Synthesis, structure, and photoluminescent properties of lanthanide (Ln = Dy, Tb) chlorides and thiophenolates supported by formamidinate ligands

The [Dy(DippForm)2Cl(THF)] (1a) and [Tb(DippForm)2Cl(THF)2] (1b) complexes are syn­thesized using salt metathesis reactions between lanthanide chlorides and K(DippForm) (DippForm = N,N'-bis(2,6-diisopropylphenyl)formamidinate). In contrast to K(DippForm), a reaction of its less sterically demanding analogue K(MesForm) (MesForm = N,N'-bis(me­sityl)formamidinate) with LnCl3 at any ratio of the reagents leads to the formation of the ho­moligand [Ln(MesForm)3] (Ln = Dy (2a), Tb (2b)) complexes. The [Ln(MesForm)2Cl(THF)] compounds are not isolated. Compounds 1a and 1b are successfully used as starting reagents for the preparation of new thiophenolate complexes [Ln(DippForm)2(SPh)(THF)] (Ln = Dy (3a), Tb (3b)). Crystal structures of compounds 1—3 are determined by single crystal X-ray diffraction. Photoluminescent properties of the complexes obtained are studied. The analysis of the spectra of both DippForm– and SPh– ligands shows an antenna effect for both Dy(III) and Tb(III). However, MesForm– acts as an efficient antenna for Tb(III) rather than Dy(III).

The Effect of Nitroxyalkyl Succinimides on Activity of Cyclic Guanosine Monophosphate Phosphodiesterase.

The effect of N-nitroxymethyl succinimide (1), N-(2-nitroxyethyl) succinimide (2) and N-(3-nitroxypropyl) succinimide (3) on enzymatic activity of cyclic guanosine monophosphate (cGMP) phosphodiesterase was studied and crystal structure of compound (2) was determined. It was shown that all studied N-nitroxy succinimides inhibited cGMP phosphodiesterase in a concentration range of 0.1-0.001 mM. Compound (2) noncompetitively and reversibly inhibited hydrolytic function of enzyme with Ki=1.7×10-5 М. Inhibition constant for the reference compound N-(2-nitroethyl) nicotinamide (nicorandil) was 3×10-5 М.

Stereochemistry of tropane alkaloid of convolvine and their derivatives

Structures of alkaloid convolvine (1) isolated from Convolvulus subhirsutus and its derivatives-convolamine(N-methylconvolvine) (2) and hydrochloride of N-benzylconvolvine (3) have been determined by single crystal X-ray diffraction technique. Compounds were crystallized in monoclinic space groups having four molecules in unit cell. All compounds contain a bicyclic ring system of tropane, where piperidine rings in all case adopt chair conformation. Hydrogen atom and methyl- and benzyl-substituents located in nitrogen atom of studied compounds occupy equatorial positions. The substituent of tropane core- the veratroyloxy group containing in all compound molecules is an α-axial oriented relative to the tropane core. In crystal structures of compound 1 and 2, the molecules are located in the distance of van der Waals interactions. The H-bond between the anion Cl and the proton of the N atom is observed in the crystal of N-benzylconvolvine hydrochloride (Cl···N 3.337 Å, Cl···H 2.42 Å and Cl-H-N 175°).

Crystal structure, 1H and 13C NMR spectral studies of 1,2,4,5-oxadiazaborole derivatives

Substituent effects on 1H and 13C NMR chemical shifts of 5-substituted phenyl-3-phenyl-4,5-dihydro-1,2,4,5-oxadiazaboroles (1a-r) were studied respectively. Single and duel substituent parameters were used for the correlation analysis of substituent-induced chemical shifts with σ, F and R constants. The calculations have shown the polar and resonance substituent effects on N-H proton and C=N carbon atoms. The ρ value was found positive for compounds (1a-r), which means that the substituent effect is normal. Additionally, crystal structure of compound (1i) was also studied. Density functional theory (DFT) calculations were carried out to calculate the theoretical chemical shifts, bond distances and bond angles.

Structural features and N-H…O and O-H…O hydrogen-bonded supramolecular frameworks in 2-methylanilinium hydrogen DL-malate hydrate, 4-methoxyanilinium and 4-methylanilinium hydrogen DL-malate salts

In the crystal structure of 2-methylanilinium hydrogen DL-malate hydrate (I), an additional water molecule is present in asymmetric unit. In the crystal structures of 4-methoxyanilinium hydrogen DL-malate (II) and 4-methylanilinium hydrogen DL-malate (III), the hydrogen malate anions exhibit configurational disorder with major component occupy S-configuration and minor component occupy R-configuration provided both (II) and (III) are prepared from a racemic mixture of DL-malic acid. In crystal structures of compounds (I)–(III), the hydrogen malate anions and anilinium cations from O-H…O and N-H…O hydrogen bonds which exhibit interesting supramolecular frameworks. In compound (I), the N-H…O and O-H…O hydrogen-bonded anionic-cationic framework form two-dimensional hydrophilic and hydrophobic layers in which the lattice water molecules are embedded in hydrophilic layers. However, in crystal structures of (II) and (III), the hydrogen DL-malate anions form two-dimensional anionic substructure through O-H…O hydrogen bond, in which the anilinium cations are anchored through N-H…O hydrogen bonds.

Tin(IV) Complexes with Salen Type Schiff base: Synthesis, Spectroscopic Characterization, Crystal Structure, Antibacterial Screening and Cytotoxicity

A series of six tin(IV) complexes [SnCl2(L) (I), Me2Sn(L) (II), Bu2Sn(L) (III), Ph2Sn(L) (IV), Oct2Sn(L) (V), BuSnCl(L) (VI)] derived from N,N'-bis(2-hydroxy-1-naphthylidene)-1,2-diaminobenzene [LH2] have been synthesized. The obtained compounds were characterized by elemental analysis, mass spectrometry, FT-IR and NMR (1H, 13C) spectroscopy. The crystal structures of compounds (IV) and (VI) have also been determined by single crystal X-ray analysis (CIF files CCDC nos. 856596 (IV) and 856595 (VI)). The study revealed that the complexes exist as discrete monomeric species and the tin atom is hexa-coordinated in a distorted octahedral geometry. The two phenyl groups in compound (IV) are at trans-positions. Similarly, in complex (VI) the butyl and chloro groups also adopt trans-orientation. The in vitro antibacterial screening and cytotoxicity investigations revealed that the biological activities significantly depend upon the alkyl or others groups present on tin atom. Most of the tin(IV) complexes are active against Escherichia coli and highest activity is shown by complex (IV) against Bacillus subtilis. Furthermore, complex (IV) has also demonstrated the highest cytotoxicity against brine shrimp with LD50 value 0.858 μg/mL.