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1.
Sevim Hamamci Alisir Necmi Dege Recep Tapramaz 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(4):388-397
Three new diclofenac‐based copper(II) complexes, namely tetrakis{μ‐2‐[2‐(2,6‐dichloroanilino)phenyl]acetato‐κ2O:O′}bis(methanol‐κO)copper(II), [Cu2(μ‐dicl)4(CH3OH)2] ( 1 ), bis{2‐[2‐(2,6‐dichloroanilino)phenyl]acetato‐κ2O,O′}bis(1‐vinyl‐1H‐imidazole‐κN3)copper(II), [Cu(dicl)2(vim)2] ( 2 ), and bis{2‐[2‐(2,6‐dichloroanilino)phenyl]acetato‐κ2O,O′}bis(1H‐imidazole‐κN3)copper(II), [Cu(dicl)2(im)2] ( 3 ) [dicl is diclofenac (C14H10Cl2NO2), vim is 1‐vinylimidazole (C5H6N2) and im is imidazole (C3H4N2)], have been synthesized and characterized by elemental analysis, FT–IR spectroscopy, thermal analysis and single‐crystal X‐ray diffraction. X‐ray diffraction analysis shows that complex 1 consists of dimeric units in which the dicl ligand exhibits a bidentate syn,syn‐μ2 coordination mode linking two copper(II) centres. Complexes 2 and 3 have mononuclear units with the general formula [Cu(dicl)2L2] (L is vim or im) in which the CuII ions are octahedrally coordinated by two L and two dicl chelating ligands. The L and dicl ligands both occupy the trans positions of the coordination octahedron. The different coordination modes of dicl in the title complexes were revealed by Fourier transform IR (FT–IR) spectroscopy. The spin matching between the copper(II) centres in the dimeric [Cu2(μ‐dicl)4(CH3OH)2] units was also confirmed by magnetic data to be lower than the spin‐only value and electron paramagnetic resonance (EPR) spectra. The thermal properties of the complexes were investigated by thermogravimetric (TG) and differential thermal analysis (DTA) techniques. 相似文献
2.
Shi Qian Cao Rong Hong Mao Chun Wang Yao Yu Shi Qi Zhen 《Transition Metal Chemistry》2001,26(6):657-661
Three binuclear ternary copper(II) chloroacetate complexes with OP(OMe)3 were prepared, and the configurations of the copper(II) dichloroacetate and trichloroacetate complexes were converted from a square-planar structure into a binuclear cage structure during the reaction. The crystal structure of Cu2(ClCH2CO2)4[OP(OMe)3]2 were determined by single-crystal X-ray diffraction. The i.r. spectra show that the carboxylate groups behave as bridging bidentate ligands in Cu2(ClCH2CO2)4(H2O)2
(1), Cu2(ClCH2CO2)4[OP(OMe)3]2
(4), Cu2(Cl2CHCO2)4-[OP(OMe)3]2
(5) and Cu2(Cl3CCO2)4[OP(OMe)3]2
(6), and as monodentate ligands in Cu(Cl2CHCO2)2(H2O)2
(2) and Cu(Cl3CCO2)2(H2O)2
(3). The electronic reflectance spectra in the solid state suggest a square pyramidal coordination environment around the copper(II) atom in (1), (4), (5) and (6), and a square-planar coordination environment in (2) and (3). Room temperature X-band e.s.r. spectra of powdered samples studied indicate the presence of electron coupling of copper(II) ions in (1), (4), (5) and (6). 相似文献
3.
《Acta Crystallographica. Section C, Structural Chemistry》2018,74(2):146-151
The mechanisms of interaction of inorganic complexes with DNA are important in the design and development of new metal‐based drug molecules. The limitations of cis‐platin have encouraged the design and development of new metal‐based target‐specific anticancer drugs having reduced side effects. The complex cis‐dichloridobis(1,2,5‐thiadiazolo[3,4‐f][1,10]phenanthroline‐κ2N1,N10)copper(II), [CuCl2(C12H6N4S)2], has been synthesized and characterized. The complex crystallizes in the monoclinic space group C2/c. The covalent binding of the complex with DNA was studied by absorption spectroscopy. The anticancer activity of the complex on the Human Lung Carcinoma (A549) cell line was investigated by MTT assay. The complex exhibits higher toxicity than cis‐platin and induces an apoptotic mode of cell death. 相似文献
4.
《Acta Crystallographica. Section C, Structural Chemistry》2017,73(5):393-398
Binuclear and tetranuclear copper(II) complexes are of interest because of their structural, magnetic and photoluminescence properties. Of the several important configurations of tetranuclear copper(II) complexes, there are limited reports on the crystal structures and solid‐state photoluminescence properties of `stepped' tetranuclear copper(II) complexes. A new CuII complex, namely bis{μ3‐3‐[(4‐methoxy‐2‐oxidobenzylidene)amino]propanolato}bis{μ2‐3‐[(4‐methoxy‐2‐oxidobenzylidene)amino]propanolato}tetracopper(II), [Cu4(C11H13NO3)4], has been synthesized and characterized using elemental analysis, FT–IR, solid‐state UV–Vis spectroscopy and single‐crystal X‐ray diffraction. The crystal structure determination shows that the complex is a stepped tetranuclear structure consisting of two dinuclear [Cu2(L )2] units {L is 3‐[(4‐methoxy‐2‐oxidobenzylidene)amino]propanolate}. The two terminal CuII atoms are four‐coordinated in square‐planar environments, while the two central CuII atoms are five‐coordinated in square‐pyramidal environments. The solid‐state photoluminescence properties of both the complex and 3‐[(2‐hydroxy‐4‐methoxybenzylidene)amino]propanol (H2L ) have been investigated at room temperature in the visible region. When the complex and H2L are excited under UV light at 349 nm, the complex displays a strong blue emission at 469 nm and H2L displays a green emission at 515 nm. 相似文献
5.
New energetic materials, [Ca(MCZ)3(H2O)2](ClO4)2 and {[Ba2(MCZ)4(H2O)2(μ1-ClO4)2(μ2-ClO4)2]0.5}n, are synthesized and tried as alternatives to common primary explosives. Both the crystal structures were determined by single-crystal X-ray diffraction. The crystal of [Ca(MCZ)3(H2O)2](ClO4)2 belongs to the monoclinic, P21/c space group, a = 14.168(3) Å, b = 8.5938(18) Å, c = 18.889(4) Å, β = 111.234(2)°, V = 2143.8(8) Å3, ρ = 1.6893 g cm?3, and {[Ba2(MCZ)4(H2O)2(μ1-ClO4)2(μ2-ClO4)2]0.5}n belongs to the triclinic, P-1 space group, a = 7.166(2) Å, b = 10.461(2) Å, c = 11.738(4) Å, α = 110.563(5)°, β = 93.799(2)°, γ = 96.864(3)°, V = 812.4(4) Å3, ρ = 2.185 g cm?3. Their thermal stabilities were investigated by differential scanning calorimetry (DSC), and exothermic peak temperatures with a heating rate of 10 °C min?1 are 249.7 and 181.7 °C, respectively. Non-isothermal reaction kinetics parameters were calculated via both Kissinger’s method and Ozawa-Doyle’s method to work out EK = 124.6 kJ mol?1, lgAK = 10.38, EO = 126.7 kJ mol?1 for the calcium complex and EK = 100.3 kJ mol?1, lgAK = 9.50, EO = 102.6 kJ mol?1 for the barium complex. Additionally, the critical temperatures of thermal explosion, ΔS≠, ΔH≠, and ΔG≠ were calculated as ?231.2 J K?1 mol?1, 120.417 kJ mol?1, 236.728 kJ mol?1 for the calcium complex and ?230.6 J K?1 mol?1, 96.723 kJ mol?1, 195.938 kJ mol?1 for the barium complex. As for their explosive nature, sensitivities toward impact and friction were tested. Both [Ca(MCZ)3(H2O)2](ClO4)2 and {[Ba2(MCZ)4(H2O)2(μ1-ClO4)2(μ2-ClO4)2]0.5}n are insensitive to friction (>360 N); their impact sensitivities are acceptable (20 and 13 J). Both compounds are energetic complexes. 相似文献
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8.
N-乙酰皮考林酰肼合铜的合成和晶体结构 总被引:1,自引:4,他引:1
N-乙酰皮考林酰肼(HL)与一水乙酸铜在甲醇溶剂中形成配合物Cu(Ⅱ)L2·0 5H2O(C16H17CuN6O4 5,Mr=428 90),晶体属单斜晶系,空间群为C2/c,a=2 8355(2)nm,b=0.90009(4)nm,c=1.49351(9)nm,β=107.974(2)°,V=3 6258(3)nm3,Z=8,F(000)=1760,μ(MoKα)=1 24mm-1,R=0 0338,wR=0 0955.Cu(Ⅱ)原子的配位介于六配位的严重扭曲的八面体和四配位的不规则多面体之间,其中Cu与O(羰基)距离为0 2653(2)和0 2591(7)nm.量子化学从头算方法计算结果表明,铜与羰基氧之间存在弱配键,晶体通过分子间氢键作用形成一维的无限链状结构 相似文献
9.
由新型双功能配体2,6-双(1,5,9-三氮杂环十二烷)-2,6-二甲基苯甲酸(L)与溴化铜在甲醇中反应得到新型铜双核配合物[Cu~2LBr~2]Br.3H~2O单晶。晶体结构分析表明:2个Cu(II)中心离子由配体L中的羧酸基团桥联;2个等价的Cu(II)中心离子均由双功能配体L的1,5,9-三氮杂环十二烷([12aneN~3)的3个氮原子和羧酸的1个氧原子及1个Br^-离子配位,并都处在三角双锥的配位环境中;分子内Cu...Cu双核间的距离为0.5884(6)nm。变温磁化率数据表明:在同一分子中的2个铜核之间存在反铁磁偶合作用(J=-22.49cm^-^1)。 相似文献
10.
One novel chiral copper(II) complex was successfully synthesized from the reaction of chiral 1,3-thiazolidine-2-thione ligand with CuCl2 in dichloromethane in the presence of Et3N and DMAP at room temperature. Its unique crystal structure was unambiguously disclosed by X-ray analysis. The crystal is tetragonal, space group I4(1), space group a=15.0875(11), b=15.0875(11), c=19.362(3) Å, =90, β=90, γ=90°, V=4407.4(8) Å3, Z=8, ρcalc=1.639 mg cm−3. 相似文献
11.
M.R. Prathapachandra Kurup Binu VargheseM. Sithambaresan Suja KrishnanS.R. Sheeja Eringathodi Suresh 《Polyhedron》2011,30(1):70-78
An interesting series of nine new copper(II) complexes [Cu2L2(OAc)2]·H2O (1), [CuLNCS]·½H2O (2), [CuLNO3]·½H2O (3), [Cu(HL)Cl2]·H2O (4), [Cu2(HL)2(SO4)2]·4H2O (5), [CuLClO4]·½H2O (6), [CuLBr]·2H2O (7), [CuL2]·H2O (8) and [CuLN3]·CH3OH (9) of 2-benzoylpyridine-N(4)-phenyl semicarbazone (HL) have been synthesized and physico-chemically characterized. The tridentate character of the semicarbazone is inferred from IR spectra. Based on the EPR studies, spin Hamiltonian and bonding parameters have been calculated. The g values, calculated for all the complexes in frozen DMF, indicate the presence of the unpaired electron in the dx2-y2 orbital. The structure of the compound, [Cu2L2(OAc)2] (1a) has been resolved using single crystal X-ray diffraction studies. The crystal structure revealed monoclinic space group P21/n. The coordination geometry about the copper(II) in 1a is distorted square pyramidal with one pyridine nitrogen atom, the imino nitrogen, enolate oxygen and acetate oxygen in the basal plane, an acetate oxygen form adjacent moiety occupies the apical position, serving as a bridge to form a centrosymmetric dimeric structure. 相似文献
12.
A. A. Bessonov I. A. Baidina N. B. Morozova P. P. Semyannikov S. V. Trubin N. V. Gelfond I. K. Igumenov 《Journal of Structural Chemistry》2007,48(2):282-288
A dimethylgold(III) compound with an acetate fragment [(CH3)2AuOCOCH3]2 has been synthesized. The complex was identified from the melting point, IR, 1H NMR, and mass spectrometry data. The temperature dependence of saturated vapor pressure over crystals has been measured and the thermodynamic parameters of sublimation have been determined by Knudsen’s effusion method with mass spectrometric measurements of the composition of the gas phase: ΔH subl = 100.87 kJ·mol?1, ΔS subl = 216.67 J·mol?1·K?1. The thermal behavior of the solid compound was investigated by differential thermal analysis. The compound was studied by X-ray diffraction. Crystal data for C8H18Au2O4: a = 12.214(5) Å, b = 14.307(3) Å, c = 7.6635(15) Å; β = 103.39(3)°, Z = 4, d calc = 2.917 g/cm3, space group P2(1)/c, R = 0.0261. The [(CH3)2AuOCOCH3]2 dimer complex with an Au...Au distance of 2.989 Å is the structural unit. The gold atom has a square plane environment of two carbon and two oxygen atoms; the Au-O distances vary from 2.118 Å to 2.139 Å. The molecules are arranged in chains linked by van der Waals interactions. 相似文献
13.
Shanshan Mao Kesheng Shen Xinkui Shi Yuling Xu 《Journal of Coordination Chemistry》2017,70(21):3677-3691
A new naphthalimide Schiff base N-allylamine-4-(ethylenediamine-3-methoxysalicylidene)-1,8-naphthalimide (HL) and its copper(II) complex {N-allylamine-4-(ethylenediamine-3-methoxysalicylidene)-1,8-naphthalimide copper(II)} (CuL2) have been synthesized and characterized. The crystal structure of CuL2 has been determined by X-ray single crystal diffraction. The central Cu(II) ion is four-coordinate with an N2O2 donor set which is afforded by two L ligands, forming a slightly distorted square planar geometry. The interactions of HL and CuL2 with calf thymus DNA were investigated using electronic absorption titration, fluorescence titration, and viscosity measurements. The results indicate that free HL and CuL2 bind to DNA in an intercalation mode, and their binding affinity for DNA takes the order CuL2 > HL. Moreover, the antioxidant assay in vitro also shows that HL and CuL2 possess significant antioxidant activities and CuL2 is more effective than free HL. 相似文献
14.
Six new copper(II) complexes of 2-hydroxyacetophenone-N(4)-phenyl semicarbazone have been synthesized and physico-chemically characterized. The tridentate character of the semicarbazone is inferred from IR spectra. Based on EPR studies, the spin Hamiltonian and bonding parameters have been calculated. The g values, calculated for all the complexes in frozen DMF, indicate the presence of the unpaired electron in the dx2-y2 orbital. The metal–ligand bonding parameters evaluated showed strong in-plane σ and in-plane π-bonding. The structure of the compound, CuLphen has been resolved using single crystal X-ray diffraction studies. The crystal structure revealed a monoclinic lattice with space group symmetry P21/c. The compound adopts a distorted square pyramidal geometry with a N2O2 core as the base. 相似文献
15.
《Journal of Coordination Chemistry》2012,65(13):2164-2171
Two new copper(II) complexes, [CuL1(N3)] (1) and [CuL2(NCS)] (2) (HL1 = 4-chloro-2-[(2-piperidin-1-ylethylimino)methyl]phenol, HL2 = 4-chloro-2-[(2-morpholin-4-ylethylimino)methyl]phenol), were prepared and structurally characterized by elemental analyses, infrared spectroscopy, and single-crystal X-ray diffraction. Complex 1 is an azide coordinated mononuclear complex, while complex 2 is a terminal thiocyanate coordinated mononuclear complex. The coppers in both complexes are four-coordinate, square-planar. Both complexes show potent urease inhibitory properties. 相似文献
16.
A new binucleating macrocyclic ligand 2,6‐bis (1,4,7,10‐tetraazacyclododecan‐10‐ylmethyl) methoxy‐benzene (L) and its binuclear copper (II) complex, [Cu2LBr2] (CIO4 )2 · 3H2O (1), was prepared and the structure was determined by X‐ray crystallography. Complex 1 crystallizes in monoclinic crystal system, P21/n space group with a = 0.8206(3), b =2.0892(8), c = 2.3053(7) mn, β = 95.83(2)°, V = 3.932 nm3, Mr=1017.57, Z = 4, Dc =1.692 g/cm3, and R= 0.0489, Rw 0.0552 for 6571 observed reflections with I ≥ 2σ (1). Both of the copper(II) centers are coordinated by four amine nitrogen donors of cyclen subunits and a bromide anion, and each copper(II) ion is in a square‐pyramidal coordination environment. Variable temperature magnetic susceptibility studies indicate that there exists weak intramolecular antiferro‐magnetic coupling ( ?2J = 2.06 cm?1) between the two copper (II) centers. 相似文献
17.
WEI Ping-Rong JIA Lu LIU Chang-Rang FAN Yao-TingDepartment of Chemistry Zhengzhou University Zhengzhou Henan ChinaGAO SongResearch Center of Rare Earth Chemistry Peking University Beijing China 《中国化学》1994,12(6):503-508
The two complexes [Ni(oxen)Cu(L)2](ClO4)2.xH2O (L=2,2'-bipyridyl(bpy), 1,10-phenanthroline(phen)) have been synthesized, where oxen is N,N'-bis(2-aminoethyl)oxamido di-anion. The crystal structure of [Ni(oxen)Cu(bpy)2](ClO4)2.CH3OH has been determined by X-ray diffraction method. The crystal is triclinic system, space group P1 with a=12.179(1),b=12.298(2), c=11.476(2) A, a=97.57(1), B=97.52(1), 7=80.29(2), V=1669.04(67) A3, Z=2, Dcalcd=1.667 g/cm3. The structure has been refined to final R of 0.076 and Rw of 0.080, respectively. The complexes have an extended oxamido-bridged structure and consist of Ni(Ⅱ) ion in a square planar environment and Cu(Ⅱ) ion in a distorted octahedral environment. 相似文献
18.
Five new mixed ligand coper(II) complexes, viz. [Cu(SAA)(H2O)] (1), [Cu(SAA)(MeImH)] (2), [Cu(SAA)(EtImH)] (3), [Cu(SAA)(BenzImH)] (4) and [Cu(SAA)(MebenzImH)] (5), where SAA = salicylideneanthranilic acid, MeImH = 2-methylimidazole, EtImH = 2-ethylimidazole, BenzImH = benzimidazole, MebenzImH = 2-methylbenzimidazole, have been synthesized and characterized by means of elemental analysis, FAB mass spectrometry, magnetic susceptibility, X-band EPR, electronic spectroscopy, IR and cyclic voltammetry. The frozen solution EPR spectra of the complexes have shown axial features. Single crystal X-ray analysis of 2 and 3 has revealed the presence of a distorted square planar geometry (N2O2) in the complexes. The superoxide dismutase (SOD) activity of the present complexes has also been measured and discussed. 相似文献
19.
Three mononuclear nickel(II) and copper(II) complexes, [Ni(L)2(py)2] (1), [Ni(L)2(DMF)(H2O)] (2), and [Cu(L)2] (3), where HL = 2-((Z)-(4-methoxyphenylimino)methyl)-4,6-dichlorophenol, py = pyridine and DMF = N,N-dimethylformamide, have been synthesized and their structures determined by single crystal X-ray analysis. Complexes 1–3 crystallized in the monoclinic system of the space groups C2/c, P21/n, and P21/c, respectively. The crystal structures of 1 and 2 present an octahedral geometry at the metal center and 3 shows a square-planar geometry. The FT-IR spectra, UV–vis spectra, and magnetic susceptibility measurements agree with the observed crystal structures. EPR spectra indicate a dx2–y2 ground state (g|| > g⊥ > 2.0023 and A|| > A⊥) for 3 at RT and LNT. The results of simultaneous TG-DTA analyses of 1 and 3 showed the final degradation products are NiO for 1 and CuO for 3. The Schiff base (HL) behaves as monobasic bidentate ligand possessing N and O donor atoms. Electrochemical properties for the complexes are similar and involve two irreversible redox processes. Complex 3 exhibits the ability to inhibit jack bean urease, although its Schiff base has no ability to inhibit urease. Complex 1 exhibits more active scavenging effects against O2? than HL, 2 and 3 under the same conditions. Antibacterial screening activities of these complexes were also investigated. 相似文献
20.
L. G. Lavernova E. V. Peresypkina A. S. Zhilin O. G. Shakirova M. N. Novikov S. F. Vasilevskii 《Journal of Structural Chemistry》2008,49(6):1104-1107
Molecular and crystal structures of a new complex compound of copper(II) with 3-methyl-5-carboxylatopyrazole (CH3PzCOO?) with the composition Cu(CH3PzCOO)2·H2O have been determined by single crystal XRD. It has been demonstrated that the carboxylate ion performs the bridging tridentate function. In the equatorial plane coordination occurs through the pyridine N atom of the pyrazole and one of O atoms of the carboxylate group yielding a five-membered metallocycle CuNOC2. The second O atom of one of the ligands is bound to the neighboring copper(II) ion affording an infinite linear chain. The coordination polyhedron of the copper atom is a square pyramid, coordination core CuN2O3. 相似文献