3-羟基-1-金刚烷甲酸钴邻菲略啉配合物的合成和晶体结构

以硫酸钻、邻菲咯啉（phen）和3-羟基-1-金刚烷甲酸（HOC10H14COOH）为原料,合成了配合物[Co（HOG10H14COO）2（H2O）（phen）]·H2O;利用元素分析、红外光谱、热重分析对产物进行了表征,采用单晶X射线衍射方法测定了其晶体结构．结果表明,所合成的配合物C34H42N2O8Co属于单斜晶系,空间群C2／c,a=2．69798（7）nm,b=1．14319（3）nm,c=2．29092（6）nm,β=120．498（1）°,V665．63,F（000）=2808,Dc=1．452g·cm^-3,μ（Mo-Kα）=0．765mm^-1;R1=0.0805,wR2=0.2209,其通过氢键和π-π堆积作用相结合,形成稳定的二维超分子结构．     

二维网状铜(Ⅱ)配合物的合成及晶体结构表征

A Cu(Ⅱ) complex [Cu(L)_1.5(OSO₃)]·3H₂O (1) [L=1,4-bis(imidazol-1-yl)benzene] was synthesized by reaction of ligand L with CuSO₄·5H₂O using solvothermal method and its structure was determined by X-ray crystal structure analysis. The structure indicates that the complex crystallizes in triclinic, space group P1 with a=0.948 8(2), b=1.078 5(2), c=1.108 4(2) nm, α=74.820(2), β=81.331(2), γ=72.638(2)°, V=1.041 5(3) nm³, Z=2, D_calc=1.687 g·cm^-3, F(000)=544, μ=1.205 cm^-1, the final R=0.062 3 and wR=0.132 8. The Cu(Ⅱ) atom has distorted square-pyramidal environment with a N₃O₂ donor set. Each L ligand links two Cu(Ⅱ) atoms using its imidazole groups to form an infinite one-dimensional (1D) ladder-like chain, which further linked by SO₄^2- to form a two-dimensional (2D) network structure. The 2D sheets are further connected by C-H…O hydrogen bonds to give a three-dimensional (3D) structure. CCDC: 650388.     

Crystal Structure of Nickel (Ⅱ) Complex with 3Hydroxy1-1, 5-diazacycloheptane

1INTRODUCT1ONMesocyclicdiamines(e.g.1,5-diazacyclooctane,1.4-diazacycloheptane)asversatilechelatingagentsoftenprovideastericeffectalongwithastrongligandfieldeffectE'jTheyeasilyformstablecomplexesinunusualgeometrieswiththetransitionmetalion.[2j.Forexample,thecrystalstructureoftheNiCl,complex,Ni(dach),Cl,(dach=1.4-diazacyclohepane),showsthattheNi(I)isplanarwithNi-Nbonddis-tancesof1.917(5)and1.921(6)Aandthetwodachligandsinthetransboat-boatco.fo.mation[3j'Inordertoextendfurtherthecomplexat…     

Crystal Structure of Copper（Ⅱ） Complex with 3－Hydroxyl－1，5－diazacyclooctane

ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆＣｏｐｐｅｒ（Ⅱ）Ｃｏｍｐｌｅｘｗｉｔｈ３－Ｈｙｄｒｏｘｙｌ－１，５－ｄｉａｚａｃｙｃｌｏｏｃｔａｎｅＬｉｕＳｈｅｎｇ－Ｈｕａ；ＸｕｅＧｕｏ－Ｐｉｎｇ；ＦｕＥｎ－Ｑｉｎ；ＷｕＣｈｅｎｇＴａｉ（Ｄｅｐａｒｔｍｅｎｔｏ...     

一维链状锰配合物的合成、结构及磁性研究

合成了邻硝基苯磺酰化丙氨酸配体2-NBS-AlaH (1)(2-NBS-AlaH=邻硝基苯磺酰化丙氨酸)及其锰的配合物[Mn(4，4′-bipy)(H₂O)₄]₂[(4，4′-bipy)₂(H₂O)₃(2-NBS-Ala)₄] (2)。通过X-射线单晶衍射测定了其结构：配体通过氢键形成了一维链状结构；配合物2中，4，4′-bipy把锰离子连成了一维链状结构。磁性研究表明，配合物由于分子间的自旋耦合呈现出弱的铁磁性。     

Crystal Structure of 1-Methyl-5-phenylhydantoin

1　INTRODUCTIONInourinvestigationofhemithioacetals,wediscoveredthatα-benzoylhemithioac-etalisquitestableandhastwoelectrophilicsitesthatcanreactwithalkylureastoformahydantoinring[1].Althoughthehydantoinringitselfdoesnotpresentanymedicinalactivity,somedisubstitutedhydantoinshavebeenwidelyusedasmedicineforitsregulareffectonthebioelectricactivityofthenervoussystem.Inordertoim-proveandexpandtheactivityaswellastopreventsideeffects,variouskindsofhy-dantoinderivativeshavebeenpreparedandtested[2].…     

一维链状3-碘苯甲酸铽配合物的合成、晶体结构和性质表征

溶液法合成了配合物{[Tb(3-IBA)₃(H₂O)₂]·0.5(4,4′-bipy)}_n(3-IBA=3-碘苯甲酸根;4,4′-bipy=4,4′-联吡啶),并通过X-射线衍射单晶结构分析、红外光谱、紫外光谱、荧光光谱以及热重分析对配合物进行了结构和性质表征。配合物晶体属三斜晶系,P1空间群。该配合物具有一维链状结构。Tb³⁺离子与8个O原子配位,其中6个O原子来自5个3-碘苯甲酸根,2个O原子来自水分子。相邻Tb³⁺离子通过2个双齿桥联的3-碘苯甲酸根联结成一维链状结构。未配位的4,4′-联吡啶分子与配位水分子之间形成氢键,并将相邻的一维链联结起来形成二维网状结构。沿a轴的分子堆积形成一维孔道,是由于相邻一维链的苯环之间部分重叠而形成的。在紫外光照射下,配合物发出很强的绿色荧光。配合物的荧光光谱中,4个峰位于490、544、583和619 nm,分别对应于Tb³⁺离子的⁵D₄→⁷F₆、⁵D₄→⁷F₅、⁵D₄→⁷F₄和⁵D₄→⁷F₃跃迁。     

1,10-邻菲咯啉-铜(Ⅱ)-L-蛋氨酸配合物的合成、表征及其分子结构

The complex [Cu(L-met)(phen)(H₂O)]NO₃·H₂O has been synthesized and investigated by elemental analysis, molar conductivity, spectroscopic and X-ray diffraction methods, where phen=1,10-phenanthroline and L-met=L-methioninate group. The complex crystallized in the monoclinic space group P2₁ with a=12.053(2)?, b=6.886(1)?, c=13.385(3)?, β=113.59(3)°, V=1018.1(3)?³, Z=2,D_c=1.598g·cm^-3, μ=1.223mm^-1, F(000)=506, R₁=0.0306, and wR₂=0.0742. The copper(Ⅱ) atom is ligated in a distorted square-pyramidal geometry by two nitrogen atoms of one phen and the amino nitrogen atom , one carboxylate oxygen atom of L-met in the base plane, and an aqua at the apical position. A one-dimensional chain configuration formed by the hydrogen-bonding and weak Cu-O (the uncoordinated carboxyl oxygen atom) coordination interactions be-tween neighboring [Cu(L-met)(phen)(H₂O)]⁺ cations. CCDC: 183368.     

一维链状银配合物的合成及晶体结构

The complex [Ag(L)]NO₃ (1) [L=1,5-bis(imidazol-1-yl)pentane] was synthesized in ethanol and water, and characterized by elemental analysis and X-ray crystal structural analysis. The result shows that the complex crystallizes in monoclinic, space group P2₁/c with a=0.695 7(4) nm, b=0.988 7(4) nm, c=1.974 8(7) nm, β=91.934(19)°, V=1.357 5(10) nm³, Z=4, D_calc=1.831 g·cm^-3, F(000)=752, μ=1.50 cm^-1, the final R=0.036 6, wR=0.091 0. The coordination environment of Ag(Ⅰ) is nearly linear with two N atoms, and each L ligand links two Ag(Ⅰ) atoms using its two imidazolyl N atoms to generate an infinite one-dimensional (1D) chain structure. The 1D chains are further connected by C-H…O hydrogen bonds to give a three-dimensional structure. CCDC: 609514.     

Crystal Structure and Properties of a Terbium Benzoate Complex with 1,10-Phenanthroline

1 INTRODUCTION The photoactive lanthanide organic complexessuch as europium and terbium chelating with ?-dike-tones, macrocyclic ligands and a number of polya-mino carboxylates, are of both fundamental and tech-nological interest due to their intense…     

Synthesis and Crystal Structure of a Novel Tetravanadate Modified by Chiral Racemoid Zirconium Complex

1 INTRODUCTION Polyoxometalate anions are a broad class of dis- crete metal-oxide compounds MxOyn–, which are of both fundamental and practical interest in a range of areas, including catalysis, biochemistry, medicine and solid state devices[1~6]. Recently, the structural chemistry of vanadium oxides in combination with secondary metal-ligand cations has attracted much attention[7~17]. These hybrid materials manifest the structural influences both of coordination preferen- ces of the sec…     

一维链状镉配合物的合成及结构表征

在甲醇体系中合成了镉配合物[Cd(L)₂(H₂O)₂](ClO₄)₂·MeOH (1)[L=1,3,5-三(3-吡啶基甲氧基)苯]。通过元素分析及X-射线单晶衍射对其进行了表征。结构分析结果表明该化合物属于三斜晶系,P1空间群,晶胞参数为a=1.057 1(5) nm,b=1.059 0(5) nm,c=1.270 8(7) nm,α=87.460(16)°,β=81.895(17)°,γ=62.326(14)°,晶胞体积V=1.247 0(11) nm³,Z=1,D_calc=1.569 g·cm^-3,F(000)=604,μ=6.26 cm^-1,R=0.035 2,wR=0.066 4。在化合物1中,每个Cd(II)的配位环境为变形八面体,而每个配体L通过其两个吡啶基团连接2个Cd(II)形成一维链状结构,并进一步通过O-H…N,O-H…O和C-H…O氢键作用形成了一个具有三维结构的超分子化合物。     

Synthesis and Crystal Structure of Binuclear Complex of Copper(Ⅱ)Chloroacetate with Acetamine

１ＩＮＴＲＯＤＵＣＴＩＯＮＣｏｐｐｅｒｃｏｍｐｌｅｘｅｓｈａｖｅａｌａｒｇｅｖａｒｉｅｔｙｏｆｓｔｅｒｉｃｓｔｒｕｃｔｕｒｅｓａｎｄｐｌａｙａｎｉｍｐｏｒｔａｎｔｒｏｌｅｉｎｃａｔａｌｙｓｉｎｇｔｈｅｅｎｚｙｍａｔｉｃａｃｔｉｖｉｔｉｅｓ，ｗｈｉｃｈ...     

具二维网格的氟喹诺酮类铜配合物的合成和晶体结构

研究药物分子与金属配位化学行为是了解药物分子与人体中含有的微量金属相互作用的一种手段。氟喹诺酮类是一类重要抗菌药 [1～ 2],其中的氟哌酸、萘啶酸等与金属的配位行为前人已有研究 [3～ 5]。对氟喹诺酮类药物配位化学行为的考察,有助于了解氟诺酮 3位羧基和 4位酮基配位及协同配位情况。氟哌酸、萘啶酸等是一元酸, H2L{1环丙基 6氟 7 [4甲酸根 ] 1哌嗪基 ] 1,4二氢 4氧喹啉 3羧酸 }（结构见图 1）为二元酸,由于二元羧酸根配位点的多样性,带来了配位结构的丰富性。为此本文报道 H2L与铜及 2,2′联吡啶 (2,2′ bipy)形成配合物的…     

Synthesis and Crystal Structure of Nickel Complex of DSEN

1INTRoDUCTIoNTheSchiffbasesareofgreatimportanceincoordinationchemistryasligands.TransitionmetalcomplexespreparedfromsalicylaldehydeSchiffbasespossessbiologi-calactivities[1~33.Forexample,Mn,Fe,Co,Ni,ZnandMoionsinproteincarryoxygen,transmitelectronandstoreprotein.Furthermore,manyofthiskindofcomplexescanalsobeusedashomogeneouscatalysts['~5i.WehavereportedthatSchiffbasespreparedbysalicylaldehydeandtriazolehavecatalyticactivitiesforsyn-thesizingethylenecarbonatet6).Forfurtherstudiesoftheca…     

氰根桥连的锰钴五核配合物的合成与晶体结构

Reaction of [Mn(bpm)₂]²⁺ with K₃[Co(CN)₅(NO)] produces a cyano-bridged bimetallic compound,{[Mn(bpm)₂]_1.5[Co(CN)₅(NO)]}·2H₂O (1), (bpm=bis(1-pyrazol)methane). Compound 1 crystallizes in the tetragonal space group P4₃2₁2 with a=1.305 08(8) nm, b=1.305 08(8) nm, c=4.386 7(5) nm, V=7.471 5(10) nm³, and Z=8. Complex 1 exhibited a structure of a pentanuclear cluster. The Mn²⁺ ions each are surrounded by bpm ligands, forming the [Mn(bpm)₂]²⁺ cation fragment. Three cation fragments are connected to the two anion fragments, [Co(CN)₅(NO)]^3-, by cyanide bridges. The five metal ions form a trigonal bipyramidal structure, where the Mn²⁺ ions are situated in the equatorial plane and the Co²⁺ ions are on both sides of the plane. As a semirigid ligand, bpm is more flexible than rigid 2,2′-bipydine, and it results in the two different configurations in the [Mn(bpm)₂]²⁺ cation fragment. CCDC: 635764.     

含二茂铁羧酸的混配双核镉配合物的晶体结构及电化学性质

以二茂铁双甲酸、1,10-邻菲咯啉为配体,得到了一个新颖的双核镉配合物,通过元素分析,IR,和X-射线单晶衍射等分析手段,确证了标题化合物的组成和结构,单晶结构解析表明,配合物属于单斜晶系,C2/c空间群。     

Synthesis and Crystal Structure of 1-Methylsulfinyl-1-methylthio-2-cyano-2-phenylethylene

1　ＩＮＴＲＯＤＵＣＴＩＯＮＤｉｔｈｉｏａｃｅｔａｌｓ[1 3]ｈａｖｅｄｅｍｏｎｓｔｒａｔｅｄｔｈｅｉｒｐｏｔｅｎｔｉａｌｆｏｒｔｈｅｓｙｎｔｈｅｓｉｓｏｆｈｅｔｅｒｏｃｙ ｃｌｅｓ,ｔｈｅｒｅｆｏｒｅ ,ｔｈｅｉｒｓｙｎｔｈｅｓｉｓａｎｄｒｅａｃｔｉｏｎｓｈａｖｅａｔｔｒａｃｔｅｄｍｕｃｈａｔｔｅｎｔｉｏｎ ,ｂｕｔｖｅｒｙｌｉｔｔｌｅｈａｓｂｅｅｎｒｅｐｏｒｔｅｄａｂｏｕｔｔｈｅｏｘｉｄａｔｉｏｎｏｆｄｉｔｈｉｏａｃｅｔａｌｓ[4].Ａｃｃｏｒｄｉｎｇｔｏｔｈｅｐｒｅｖｉ ｏｕｓｒｅｐｏｒｔ,ｔｈｅｏｘｉｄ…     

Crystal,Molecular, and Electronic Structure of 1-Acetyl-indoline and Derivatives

The crystal and molecular structures of the following molecules have been determined: 1-acetyl-indoline, 1-acetyl-5-nitro-indoline, l-acetyl-5-nitro-7-bromo-indoline, 1-acetyl-5-bromo-7-nitroindoline, and l-acetyl-5-bromo-7-nitro-indol. Molecular orbital calculations are performed for these compounds and two related species.     

双核三螺旋铁配合物的合成和结构

本文选择了2-羟基-1-萘醛与水合肼形成的席夫碱,[(HO)(C₁₀H₆)CH=N-N=CH(C₁₀H₆)(OH)],作为配体,设计组装了双核三螺旋的三价铁配合物。配合物中每一个铁离子以准八面体的配位方式分别与三个NO双齿单元配位, 三个配体分别桥联两个金属形成特定的三螺旋构型。分子内和分子间的π-π堆积作用对螺旋体的形成和堆积方式起着十分重要的作用。作为对照,本文还报道了配体的晶体结构。