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1.
以双(4-吡啶-4-苯基)胺(BPPA)和4,4-(六氟)双(苯甲酸)(H2hfipbb)或对苯二甲酸(p-H2bdc)为配体,采用溶剂热法与M(NO3)2·6H2O(M=Co、Zn)组装合成了2个新的配合物{[Co2(BPPA)(hfipbb)2·(H2O)3]·6H2O}n(1)、{[Zn2(BPPA)2(p-bdc)2]·H2O·DMF}n(2),X射线单晶衍射测定结果表明:配合物12均为二维结构。配合物1具有新的拓扑结构。配合物2的二维结构又可以组成三维框架结构。配合物1为正交晶系,Pnna空间群,a=2.6409(2) nm,b=1.71578(13) nm,c=1.50411(11) nm,V=6.8154(9) nm3,Z=4,μ=0.571 mm-1,F(000)=2592,Dc=1.245 g·cm-3,Mr=1383.76,R1=0.0666,ωR2=0.2089(I>2σ(I));配合物2为单斜晶系,C2/c空间群,a=2.79670(9) nm,b=1.81482(6) nm,c=2.30313(7) nm,β=102.1360(10)°,V=11.4283(6) nm3,Z=8,μ=0.906 mm-1,F(000)=4944,Dc=1.391 g·cm-3,Mr=1196.85,R1=0.0398,ωR2=0.1064(I>2σ(I))。此外,热重分析表明配合物12均具有良好的热稳定性。  相似文献   

2.
利用水热技术,合成了2个新的配合物{[Co(Hbtc)(Pyphen)(H2O)]·H2O}n (1)和{[Cd2(btc)(Pyphen)2Cl]·2H2O}n(2) (H3btc=1,2,4-苯三酸,Pyphen=[2,3-f]吡嗪并[1,10]-菲咯啉),并通过X-射线单晶衍射、元素分析、热重分析和荧光进行了表征。配合物1属三斜晶系,空间群P1,a=0.643 44(13) nm,b=1.202 9(2) nm,c=1.371 6(3) nm,α=95.03(3)°,β=90.46(3)°,γ=103.54(3)°,V=1.027 7(4) nm3,Z=2,CoC23H16N4O8,Mr=535.31,Dc=1.730 g·cm-3,μ(MoKα)=0.900 mm-1,F(000)=546,GOOF=1.089,R=0.099 2,wR=0.249 0;配合物2属三斜晶系,空间群P1,a=0.968 93(8) nm,b=1.223 82(10) nm,c=1.592 21(14) nm,α=67.486 0(10)°,β=73.158 0(10)°,γ=78.468 0(10)°,V=1.660 9(2) nm3,Z=2,Cd2C37H23N8O8Cl,Mr=967.88,Dc=1.935 g·cm-3,μ(MoKα)=1.432 mm-1,F(000)=956,GOOF=1.051,R=0.077 9,wR=0.141 2。结构分析表明:配合物1为无限一维双链结构,配合物2为二维层状结构。此外,氢键和π-π相互作用在加固配合物的结构中起到重要作用。  相似文献   

3.
2D氢键网状Mg(Ⅱ)配合物的合成和晶体结构   总被引:1,自引:0,他引:1  
The title complex [Mg(H2O)6]·(L)·(H2O) [L=2-formyl-benzenesulfonate-hydrazine] was synthesized by the reaction of magnesium chloride hexahydrate with 2-formyl-benzenesulfonic acid sodium-hydrazine in the CH3CH2OH/H2O. It was characterized by elemental analysis, IR and X-ray single crystal structure analysis. The crystal of the title complex [Mg(H2O)6]·(C14H12N2O7S2)·(H2O) belongs to triclinic, space group P1 with a=0.781 09(12) nm, b=0.781 27(13) nm, c=0.995 68(19) nm, α=102.054(2)°, β=92.331 0(10)°, γ=105.500(2)°, V=0.569 59(17) nm3, Z=1, Dc=1.559 Mg·m-3, μ=0.334 mm-1, F(000)=280, and final R1=0.033 9, wR2=0.091 6. The complex comprises a six-coordinated magnesium(Ⅱ) center, with a O6 distorted octahedron coordination environment. The molecules are connected by hydrogen bonds to form two dimensional network structures. CCDC: 716601.  相似文献   

4.
A new coordination complex [Cu(Ⅱ)(DETA)]3[Cr(CN)6]2·5H2O (DETA=diethylenetriamine) was synthesized, its crystal structure and magnetic properties were determined. The crystal crystallizes in monoclinic space group P21/c, with unit cell constants a=2.056 6(7) nm, b=1.440 7(5) nm, c=1.513 3(5) nm, β=95.996(6)°, and V=4.459(3) nm3, Z=4, Dc=1.499 g·cm-3, F(000)=2 060,μ(Mo )=1.936 mm-1, R1=0.052 3, wR2=0.106 2. The structure consists of a one-dimensional chain of [Cu(DETA)]2[Cr(CN)6]+ and binuclear [Cu(DETA)][Cr(CN)6]-. The coordination geometries around Cu2+ atoms are distorted square-based pyramidal and distorted square, respectively. Magnetism studies show that there are ferromagnetic interactions between Cu2+ and Cr3+ ions. CCDC: 272213.  相似文献   

5.
The crystal structure of the title complex, [K2(5-nbdc)2Cd(Ⅱ)·imH·H2O] (5-nbdc=5-nitro-1,3-benzenedicarbonate, imH=imidazole) has been determined by X-ray diffraction analysis. The crystal data are: tetragonal, space group P41, Mr=694.93 for CdC19H12N4O13K2, a=1.018 6(10) nm, b=1.018 6(10) nm, c=2.436 7(5) nm; Z=4, V=2.528 2(6) nm3, F(000)=1 376, Dc=1.826 Mg·m-3, μ=1.267 mm-1. The title polymeric complex exhibits a two-dimensional framework, in which adjacent Cd(Ⅱ) ions are bridged by μ-O4-5-nitro-1,3-benzenedicarbonate groups forming one-dimensional chains that are further linked by μ-O3-5-nitro-1,3-benzenedicarbonate groups into two-dimensional anion rectangle sheets with large 32-membered rings. The strong π-π stacks of the benzene rings link these adjacent sheets into a three-dimensional van der Waals network. CCDC: 245527.  相似文献   

6.
二维纳米空洞方格:诺氟沙星锰(Ⅱ)配合物   总被引:2,自引:0,他引:2  
The reactions of norfloxacin (H-Norf) with Mn(ClO4)2·6H2O and Mn(OH)2 yield Mn(H-Norf)(ClO4)2·2H2O (1) and [Mn(Norf)2·4H2O]n (2) , respectively. 1 is monomeric while 2 has a novel 2D neutral square grid with an antibacterial drug as building block. Crystal data for 1: triclinic, space group P1 (No.2), a=9.0939(3), b=9.4395(3), c=12.7182(3)?, α=111.447(2), β=90.340(2), γ=112.357(1)°, V=926.34(5)?3, Z=1, ρcacl=1.664g·cm-3. MoKα radiation (λ=0.71073?), T=293(2)K, μ=0.595mm-1, R1=0.0692, wR2=0.1482 for 2320 observed reflections from 4390 independent reflections, GOF=0.940; Crystal data for 2: Monoclinic, P21/c, a=5.7530(12), b=21.865(4), c=13.343(3)?, β=98.25(3)°, V=1661.1(6)?3, Z=2, ρcacl=1.527g·cm-3, T=293(2)K, μ=0.477mm-1, R1=0.0531, wR2=0.1552 for 2070 observed reflections from 2870 independent reflections, GOF=1.384. CCDC: 140819; 151063.  相似文献   

7.
The title compound was prepared by the solid state reaction of stoichiometric amounts of CdCl2·H2O and 4-nitroaniline . The crystal used for X-ray analysis was obtained by slow evaporation of an ethanol-aqueous solution of the solid state reaction at room temperature. The structure of compound was characterized by X-ray diffraction analysis. The crystal belongs to orthorhombic, space group Pbca, a=0.77864(7)nm,b=0.72547(6)nm,c=3.3126(2)nm,Z=4,V=1.8712(3)nm3,Dc=1.890g·cm-3,μ=1.763mm-1, F(000)=1048,R=0.0300,wR=0.0697. The title compound is a typical two-dimensional organic intercalated compound. The inorganic layers of the compound are formed by CdCl6 octahedra sharing corner Cl atoms (i.e. catena-poly[dihlorocadmium-di-μ-chloro]). The organic ammonium cations are intercalated between every two metal-halogen layers and formed the organic layers of the compound through hydrogen bonding.  相似文献   

8.
合成并表征了两个新的配合物:[Cu(HCP)(TBZ)](NO3)2·(H2O)2 (1)和[Cu(HCP)(HPB)](NO3)2·(H2O)1.5 (2)[HCP=环丙沙星,TBZ=2-(4′-噻唑基)苯并咪唑,HPB=2-(2-吡啶)-苯并咪唑]。配合物1属于三斜晶系,P1 空间群,a=0.909 5(2) nm,b=1.330 1(3) nm,c=1.355 2(3) nm,α=93.518(3)°,β=97.192(3)°,γ=106.361(3)°,V=1.552 6(6) nm3,Z=2,Dc=1.598 g·cm-3,μ=0.849 mm-1。用二倍稀释法研究了配合物的抗菌活性,发现配合物对大肠杆菌(Escherichia coli,G-)、沙门氏杆菌(Salmonella,G-)和枯草杆菌(Bacillus subtilis,G+)具有良好的抑制作用。应用电子吸收光谱、荧光光谱、粘度测定及凝胶电泳研究了配合物与DNA的作用,结果表明配合物以插入方式与DNA作用,在维生素C存在下通过·OH切割 pBR322 DNA双螺旋结构。  相似文献   

9.
A new Cadmium(Ⅱ)-Ciprofloxacin ionic compound, (HCPFX)2[CdCl4]·3H2O, is synthesized and its crystal structure is determined. The crystallography data are as follows, monoclinic, space group P21/c, a=1.010 39(6) nm, b=1.399 89(9) nm, c=2.822 45(18) nm, β=95.765 0(10)°, V=3.972 0(4) nm3, Z=4, Dc=1.627 g·cm-3, F(000)=1 984. R1=0.054 0, wR2=0.150 3 (I>2σ(I)). In the title compound, four chloride ions are coordinated to the cadmium ion forming a slightly distorted tetrahedron. Both Ciprofloxacin and the compound were assayed against gram-positive and gram-negative bacteria by doubling dilutions method, the compound shows the same minimal inhibitory concentration (MIC) as the Ciprofloxacin against S. Aureus, M. Lutens, E. Coli and P. Aeruginosa bacteria. The inhibitory effect of the two compounds on leukemia HL-60 cell line has been measured by using MTT (Methyl-Thiazol-Tetrozolium) assay method. The results indicate that the complex has very strong inhibitory effect on HL-60 cell line. CCDC: 259367.  相似文献   

10.
以2-(4-甲基苯甲酰基)苯甲酸(HL)及2,2'-联吡啶(2,2'-bipy)为配体合成了一个双核铜(Ⅱ)配合物[Cu2(L)4(2,2'-bipy)2]·H2O(1),并对其进行了晶体结构测定。测定结果表明,该配合物晶体属于三斜晶系,空间群为P1,晶胞参数:a=1.01257(15)nm,b=1.3125(2)nm,c=1.3170(2)nm,α=82.985(2)°,β=76.437(2)°,γ=88.290(2)°,V=1.6887(4)nm3,Dc=1.391g·cm-3,Z=2,F(000)=732,GooF=1.027,最终偏离因子R1=0.0375,wR2=0.0914。在配合物分子中相邻的2个铜(Ⅱ)离子通过2个2-(4-甲基苯甲酰基)苯甲酸根桥联配位连接起来,其端位各与1个2-(4-甲基苯甲酰基)苯甲酸根和1个2,2'-联吡啶分子配位,整个分子形成了双核结构。测定了标题配合物的荧光和磁性,结果表明:当激发波长为608nm时,配合物在472和476nm处有2个较强的荧光发射峰;在2~100K,配合物具有顺磁性。  相似文献   

11.
A new 2D Zn(Ⅱ) coordination polymer [Zn(HIDC)(bib)0.5]n(1) was obtained by the hydrothermal reaction of ZnCl2, imidazole-4,5-dicarboxylic acid (H3IDC), and 1,4-bis(imidazol-1-yl)-butane (bib) with 2∶2∶1 mole ratio. X-ray diffraction crystal structural analysis reveals its crystallizes in monoclinic, space group P21/n with a=0.943 38(16), b=1.022 48(18), c=1.393 8(2) nm, β=109.434(3)°, V=1.267 9(4) nm3,Z=4, Dc=1.648 Mg·m-3, F(000)=636, the final R1=0.044 1, and wR2=0.100 3 for 1 742 observed reflections with I≥2σ(I). In 1, each Zn(Ⅱ) ion is five-coordinated with a distorted trigonal bipyramidal coordination geometry, and each μ2-HIDC2 acts as a bridge to bond two neighboring Zn(Ⅱ) ions, leading to an 1D zigzag chain architecture. The adjacent chains are further linked by bib to form an infinite 2D network structure. The fluorescence spectrum of 1 exhibits intense emission at 436 nm when excited at 380 nm in solid state at room temperature. CCDC: 748259.  相似文献   

12.
采用水热法合成了一个配合物[Zn2(tpta)0.5(H2tpta)(dpe)(H2O)2]n(1)(H4tpta=三联苯-2,2',4,4'-四羧酸,dpe=1,2-二(4-吡啶基)乙烯),并用元素分析、红外光谱、X-射线单晶衍射、热重分析和荧光分析对其进行了表征。晶体结构分析表明:该配合物属于三斜晶系,空间群为P1,a=1.0174(2)nm,b=1.0341(2)nm,c=1.8831(4)nm,α=96.147(4)°,β=96.866(4)°,γ=98.023(4)°,V=1.9322(7)nm3,Z=2,Dc=1.640g·cm-3,μ=1.320mm-1,F(000)=974,R1=0.0669,wR2=0.1332(I>2σ(I));具有环状双核锌(Ⅱ)连接的二维双层结构,双层之间又进一步通过O-H…O氢键组装成三维超分子结构。此外,该配合物具有较好的热稳定性和发光性能。  相似文献   

13.
Two new mononuclear Mn(Ⅱ) complexes Mn(phen)2(N3)2 (1) and [Mn(phen)2(N3)(H2O)]ClO4·H2O (2) have been synthesized and structurally characterized, where phen is 1,10-phenanthroline. Complex 1 crystallizes in the P1 space group, with lattice parameters a=8.1688(2)?, b=11.1218(2)?, c=12.6881(2)?, α=83.558(3)°, β=82.287(3)°, γ=73.643(3)°, V=1092.7(4)?3, Dc=1.518Mg·m-3, Z=2, F(000)=510, R1=0.0620, wR2=0.0958 (based on F2), S=0.981. Complex 2 crystallizes in the P1 space group, with lattice parameters a=8.6543(2)?, b=8.9767(2)?, c=17.5915(4)?, α= 93.399(3)°, β=102.806(3)°, γ=106.234(3)°, V=1268.7(4)?3, Dc=1.552Mg·m-3, Z=2, F(000)=606, R1=0.0672, wR2=0.1781 (based on F2), S=1.047. In complex 1, the Mn atom is coordinated by six nitrogen atoms of two phen molecules and two N3- ions with the Mn-N distances ranging from 2.142(4) to 2.318(4)?. The coordinated phen molecules of the adjacent Mn(phen)2(N3)2 moieties experience π-π stacking which is responsible for the crystal packing. In complex 2, the Mn atom is coordinated by five nitrogen atoms of two phen molecules and one N3- ion with the Mn-N distances ranging from 2.152(5) to 2.291(5)?. The approximately octahedral environment was completed by the oxygen atom of the coordinated water molecule with the Mn-O distance of 2.180(5)?. The hydrate water molecule is hydrogen-bonded to one of the O atoms of free ClO4- anion. ?  相似文献   

14.
X射线单晶衍射结果表明,三核镉配合物Cd3[CH3O(O)C6H3CH=NNHC(S)NH2]4·[CH3COO]2·1/2[CH3S(O)CH3]·2H2O为单斜晶系,空间群为C2/c,a=3.4214(4),b=1.1581(2),c=1.7932(5)nm,β=119.76(1)°,V=6.168nm3,Mr=1427.43,Z=4,Dc=1.54g/cm3,μ=12.48cm-1,F(000)=2860,最后偏离因子R=0.066.  相似文献   

15.
The reactions of 18-crown-6 with Na2[M(SCN)4] (M= Pd,Pt) were studied and the complex 1 [{Na(18-C-6)}2(H2O)]n[Pd(SCN)4]n and complex 2 [{Na(18-C-6)}2(H2O)]n[Pt(SCN)4]n were characterized by ele-mental analysis, IR and X-ray diffraction analysis. The complexes belong to monoclinic, space group P21/n with cell dimensions, 1:a=1.05734(7),b=1.42250(10),c=1.47762(10) nm,β=107.5330(10)°,V=2.1192(2)nm3,Z=2,Dcalcd=1.460g·cm-3,F(000)=964,R1=0.0406,wR2=0.1264 and 2:a=1.05985(19),b=1.4237(3),c=1.4744(3) nm,β=107. 096(3)°, V=2.1264(7)nm3,Z=2,Dcalcd=1.690g·cm-3,F(000)=1028,R1=0.0292,wR2=0.0859. In the solid state, the complexes 1 and 2 show an one-dimensional chain of [{Na(18-C-6)}2(H2O)]2+ complex cations and [M(SCN)4]2- (M=Pd,Pt) complex anions bridged by Na-N in-teractions.  相似文献   

16.
王国喜  李波  熊仁根 《无机化学学报》2007,23(11):1997-1998
The solvothermal reaction (D2O) of 2,6-dideuterium-4-cyanopyridine with ZnCl2 in the presence of NaN3 offers a novel complex Zn(OD)(C6H2D2N4) (1) in which Zn has a distorted tetrahedron composed of two N atoms from one tetrazoyl group and pyridyl group and two O atoms from two deuteratohydroxy OD groups. Crystal data for 1: Pbcn, a=1.456 8(5) nm, b=0.659 2(2) nm, c=1.645 3(5) nm, α=90°, β=90°, γ=90°, V=1.580 0(9) nm3, Z=8, M=231.54, Dc=2.236 Mg·m-3, μ=3.070 mm-1, R1=0.043 4, wR2=0.120 6, S=1.029. CCDC: 660629.  相似文献   

17.
合成了3-(水杨酰肼)-丁基-2-酮肟H2L(1,C11H13N3O3)和2个镍的3-(水杨酰肼)-丁基-2-酮肟化合物[Ni(HL)(CH3COO-)(C5H5N)2](2)和[Ni(HL)2]·2C3H7NO(3)。化合物1晶体属单斜晶系,空间群为P21/n,晶体学参数为:a=0.451 87(2) nm,b=2.086 8(1) nm,c=1.224 48(9) nm,β=94.974(3)°,V=1.150 3(1) nm3Z=4,Dc=1.358 g·cm-3,μ=0.101 mm-1F(000)=496,R=0.0435,wR=0.142 5。化合物2晶体属单斜晶系,空间群为P21/n,晶体学参数为:a=1.362 39(8) nm,b=1.345 37(6) nm,c=1.438 54(7) nm,β=113.138(3)°,V=2.424 6(2) nm3Z=4,Dc=1.398 g·cm-3,μ=0.843mm-1F(000)=1 064,R=0.042 4,wR=0.116 6。化合物3晶体属单斜晶系,空间群为P21/c,晶体学参数为:a=1.104 22(7) nm,b=2.860 1(1) nm,c=1.114 13(7)nm,β=114.589(5)°,V=3.199 5(3) nm3Z=4,Dc=1.398 g·cm-3,μ=0.667 mm-1F(000)=1 416,R=0.057 6,wR=0.1535。在化合物1晶体中,酮肟分子之间通过分子间氢键形成二维网状结构。在化合物2中,每个镍(Ⅱ)离子由1个3-(水杨酰肼)-丁基-2-酮肟的2个氮原子和1个氧原子,2个吡啶分子中的2个氮原子和1个乙酸根中的1个氧原子形成畸变的NiN4O2八面体配位构型,存在分子内氢键O-H(肟)…O(乙酸根)和O-H(酚)…N(酰肼)。在化合物3晶体中,每个镍(Ⅱ)离子由2个3-(水杨酰肼)-丁基-2-酮肟的4个氮原子和2个氧原子配位,形成畸变的NiN4O2八面体配位构型。晶体中存在O-H…O和O-H…N两种分子内氢键和O-H…O分子间氢键。  相似文献   

18.
A mononuclear Cobalt(Ⅱ) complex [CoL(H2O)2]n (H2L: 4,4′,6,6′-Tetrabromo-2,2′-[ethylenedioxybis(nitrilomethylidyne)]diphenol), has been synthesized and structurally characterized by elemental analysis, IR and X-ray diffraction single crystal structure analysis. The crystal of the complex belongs to monoclinic space group P21/c with a=2.516 8(3) nm, b=1.023 43(18) nm, c=0.789 17(14) nm, β=91.375(2)°, V=2.032 1(5) nm3, Z=4, Dc=2.317 Mg·m-3, μ(Mo Kα)=8.747 mm-1, F(000)=1 356, R1=0.049 7, wR2=0.110 4. The crystal structure of [CoL(H2O)2]n indicates that the complex consists of one cobalt(Ⅱ) atom, one L2- unit and two coordinated water molecules, and the coordination number of the cobalt(Ⅱ) atom is six. One-dimensional chain supramolecular structure is formed by intermolecular hydrogen bonds and π-π stacking of neighboring benzene rings. CCDC: 652649.  相似文献   

19.
本文利用二吡啶[3,2-a∶2’,3’-c]并吩嗪-2-羧酸(HDPPZC)作为有机配体在水热条件下制备了配合物[CoCl0.5(H2O)0.5(HDPPZC)2](PW12O40)0.5·3.5H2O (1),利用X-射线单晶衍射、元素分析、紫外可见吸收光谱和差热分析对该化合物的结构进行了表征。单晶结构分析表明该晶体属于三斜晶系,P1空间群,晶胞系数a=1.036 0(2) nm,b=1.564 0(3) nm,c=1.656 0(3) nm,α=80.99(3)°,β=84.93(3)°,γ=85.44(3)°,V=2.6339(9) nm3,Z=1。配合物1是由零维离散结构通过氢键和π-π堆积形成的二维超分子结构。本文还研究了该化合物对罗丹明B的光催化降解性质。  相似文献   

20.
本文利用二吡啶[3,2-a:2',3'-c]并吩嗪-2-羧酸(HDPPZC)作为有机配体在水热条件下制备了配合物[CoCl0.5(H2O)0.5(HDPPZC)2](PW12O40)0.5·3.5H2O (1),利用X-射线单晶衍射、元素分析、紫外可见吸收光谱和差热分析对该化合物的结构进行了表征。单晶结构分析表明该晶体属于三斜晶系,P1 空间群,晶胞系数a=1.036 0(2) nm,b=1.564 0(3) nm,c=1.656 0(3) nm,α=80.99(3)°,β=84.93(3)°,γ=85.44(3)°,V=2.6339(9) nm3,Z=1。配合物1是由零维离散结构通过氢键和π-π堆积形成的二维超分子结构。本文还研究了该化合物对罗丹明B的光催化降解性质。  相似文献   

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