Assembly and Crystal Structure of a Novel 1—D Coordination Polymer of Copper（Ⅱ）with Thiocyanate and 4—Cyanopyridine

A novel one‐dimensional coordination polymer, Catena‐poly [bis(4‐cyano‐pyridyl) copper(II)‐di‐thiocyanate], ¹_∞ [Cu^II‐(cypy)₂(μ_N.S‐SCN)₂] (cypy = 4‐cyano‐pyridyl), was synthesized in a solution reaction of Cu(NO₃)₂·3H₂O, 4‐cyano‐pyridine and KSCN in mole ratio of 1:2:2 at room temperature. Its crystal structure was determined by single‐crystal X‐ray diffraction. The crystal belongs to monoclinic crystal system, space group P2₁/c with cell parameters a = 1.0719(2), b = 1.8441(4), c =0.9144(2) nm, β = 110.49(3)° and Z = 4. A full‐matrix least‐squares refinement gave R₁ = 0. 0393 and wR₂= 0.0916 for 1554 reflections having 1 >2σ(I). The crystal is thermally stable up to approximately 170 °C.     

One Dimensional Coordination Polymer Constructed by 1,2-Bis(4-pyridinecarboxamido)ethane and Copper(II)

IntroductionInrecentyears ,thesynthesisandcharacterizationofco ordinationpolymershavebeenrapidlyexpandingowingtoafundamentalinterestintheirfascinatingstructuraldiversityandpotentialapplicationsasfunctionalmaterials .1 4 Thesyn thesisofcoordinationpolymerswith 4 ,4′ bipyridine (4 ,4′ bipy)orrelatedspeciesasbifunctionalligandandmetalionhasgeneratedaconsiderablenumberofnoveltopologicalframeworks ,suchasT shaped ,5ladder,6 brickwall,7squareorrectangulargrid8,9andotheruncommonmotifs .Herewereport…     

Synthesis and Crystal Structure of a Co（II） Coordination Polymer Derived from a Flexible Bipyridyl Derivative Ligand

1 INTRODUCTION The infinite networks constructed from transition metal complexes have attracted considerable current interest in recent years. The motivation behind this activity has been stimulated by their potential appli- cations in selective inclusion of ions, molecular re- cognition, host-guest chemistry, ion exchange, cata- lysis, electrical conductivity, magnetism, optics and so on[1～4]. It is well known that the diversity in structures and topologies of supramolecules is attri- b…     

乙酸根与1,6-二(1H-1,2,4-三唑)己烷交替桥联的一维Cu配位聚合物

配位聚合物以其新颖的拓扑结构和独特的电学、磁学、光学和催化等物理和化学性质引起人们极大的研究热情。配位聚合物的结构取决于很多因素,例如中心原子的选择、配体的选择、阴离子的变化等。在这些因素中选用合适的配体无疑是控制配位聚合物拓扑结构的关键因素之一[1￣10]。含有三氮唑、咪唑等含N基团的有机桥联配体由于其配位能力强、配位原子数目多、易与过渡金属离子形成具有特殊结构的配合物等特点引起人们极大兴趣,成为近年来配位化学的研究热点之一。在含N配体的研究中,双齿桥联三唑类柔性配体如1,2-二(1H-1,2,4-三唑)乙烷和1,4-…     

Synthesis and Crystal Structure of a 1-D Coordination Polymer {[Cu(NIT4py)_2(ip)]·6H_2O}_n

1 INTRODUCTION Pyridyl-substituted nitroxide radicals have at- tracted considerable attention in recent years due to the ability to coordinate with metal ions and act as magnetic couplers, giving rise to new functional ma- terials with particular magnetic and optical prope- rties as well as a variety of structural topologies[1~3]. Considerable efforts have been made in designing and preparing multi-dimensional materials with app- ropriate bridges, such as pseudohalide, dicyanide, dicyanoa…     

Synthesis and Crystal Structure of a Novel 1D Magnesium(II) Coordination Polymer Constructed by L-Cysteic Acid

A novel coordination polymer [Mg(L)(H2O)2]·H2O] (LH2 = L-cysteic acid) has been synthesized and characterized by elemental analysis, IR and single-crystal X-ray diffraction. The crystal crystallizes in orthorhombic system, space group P212121, with a = 5.962(3), b = 11.224(6), c = 13.664(7) , V = 914.3(8) 3, Z = 4, Mr = 245.50, Dc = 1.783 g/cm3, μ = 0.445 mm–1, flack parameter = 0.32(16), F(000) = 512, the final R = 0.0458 and wR = 0.1172 for 1578 observed reflections with I > 2σ(I). The Mg(II) atom shows an octahedral geometry defined by two carboxyl O atoms from two different L-cysteic acid ligands, one carboxyl O atom and one amino N atom from the adjacent ligand, and two aqua ligands. The Mg(II) atoms are bridged by L-cysteic acid ligands, leading to a 1D infinite zigzag chain. In the structure there are extensive hydrogen bonds, through which the complex completes its 3D framework structure.     

Preparation, Crystal Structure and Thermal Behaviour of a One-dimensional Coordination Polymer [Mn（m-CPOAH）2（H2O）2]n

1 INTRODUCTION Supramolecular chemistry of manganese(II) car- boxylate coordination polymers has been inten- sively studied in recent years, within which ligand design is an important aspect in adjusting the coordi- nation framework and functionalities of the complexes formed[1～4]. Carboxyphenoxyacetic acids (CPOAH2), which have been known to show biological activities and are widely used in agriculture, are a family of multidentate flexible ligands with versatile binding abilities. …     

一维链状铜(Ⅱ)配合物的合成及晶体结构表征

The 1D-chain polymer of [Cu(Ⅱ)₃L₃(H₂O)]_n, (H₂L=3-(3,5-dichloro-2-hydroxybenzylid-eneamino)propanoic acid) has been synthesized by reaction of 3,5-dichlorosalicylaldehyde, β-alamine and copper nitrate in ethanol solution. The crystal structure was determined by X-ray diffraction method. The crystal structure belongs to mono-clinic system with space group C2/c and cell parameters: a=3.853 7(3) nm, b=0.777 38(18) nm, c=2.656 36(2) nm, β=116.924(2)° and V=7.095 4(17) nm³, M_r=998.85, Z=8, D_c=1.870 g·cm^-3 and F(000)=3 992. The two Cu(Ⅱ) atoms are coordinated with four atoms from Schiff base, and another one is coordinated with five atoms. The square bridging links three metal centers through a novel μ-4,4,5 coordination model, which is further assembled into 1D chain coordination polymer. The 1D chain is further constructed a 3D network by strong O-H…O and C-H…O hydrogen bonds. The coordination polymer presents a good thermal stable property through the thermal analysis. CCDC: 679005.     

配位聚合物{[Co(4,4''''-bpy)(H2O)4](Fum)·4H2O}n的合成和晶体结构

0引言近年来,利用晶体工程方法设计、裁剪和组装具有一维、二维和三维有序超分子结构的配位聚合物引起了人们极大的兴趣,并成为材料科学和化学学科中最活跃的研究领域之一[1~3]。在超分子结构设计方面,利用过渡金属借助配体配位作用引导的自组装已成为一个热点。其中多联吡啶类     

一维链状的3-羧基苯氧乙酸铜配位聚合物[Cu(3-cpoa)(phen)(H2O)]n的合成与晶体结构

A novel coordination polymer [Cu(3-cpoa)(phen)(H₂O)]_n(3-cpoa^2-=3-carboxylphenoxyacetate, phen=1,10-phenanthroline) was synthesized and characterized by elemental analysis, IR spectra and single crystal X-ray diffraction. Crystallographic facts are as follows: monoclinic crystal system, space group P2₁/n， a=0.688 96(14) nm， b=1.652 3(3) nm， c=1.651 1(3) nm， β=95.20(3)°, V=1.871 9(6) nm³, Z=4, D_c=1.618 g·cm^-3， F(000)=932， μ=1.211 mm^-1，R=0.048 2 and wR=0.062 2. The copper atom exhibits a distorted square pyramidal coordination geometry, involving two oxygen atoms of different 3-cpoa^2- ligands, two nitrogen atoms of 1,10-phen ligand and one coordinated water molecule. The copper atoms are bridged by 3-cpoa^2- ligand, forming a one-dimensional chain along c axis. The distance of adjacent Cu…Cu is 0.916 6(4) nm. A three-dimensional network structure is constructed by the intermolecular hydrogen bond and π-stacking interactions. CCDC: 219724.     

Synthesis and Crystal Structure of a Novel Polymeric Thiocyanato-Bridged Heteronuclear Complex of Copper(II) and Cadmium(II)

The title polymeric complex of Cu(II) and Cd(II) bridged by thiocyanate, Cu(en)₂[Cd(SCN)₃]₂, has been prepared and its structure determined by X-ray diffraction (XRD) methods. The crystal structure reveals that the Cu(II) atom is in an elongated octahedral coordination formed by two SCN^– anions and two en molecules. The Cd(II) atom is in a distorted octahedral coordination formed by six bridging SCN^– anions. Two different bridging thiocyanate anions exist in the complex. Both 1,1--SCN^– and 1,3--SCN^– anion act a role of bridge ligand and link Cu(II), Cd(II) atoms, and adjacent Cd(II). Cd(II) atoms form the three-dimensional (3-D) network polymeric structure. The IR and UV-Vis spectra have also been investigated.     

Synthesis and Crystal Structure of a New(6,3)-Connected Ni(Ⅱ) Coordination Polymer

The coordination polymer [Ni(dpa)(bpp)]n(H2dpa = 2,4'-biphenyl-dicarboxylic acid,bpp = 1,3-di(4-pyridyl)propane) was hydrothermally prepared and characterized by single-crystal X-ray diffraction,FTIR spectra,elemental analysis and thermal analysis.The crystal is of triclinic system,space group P1 with a = 12.516(5),b = 12.943(5),c = 15.130(5) ,α = 94.331(5),β = 91.827(5),γ = 108.382(5)°,C54H44N4Ni2O8,Mr = 497.18,V = 2315.3(15) 3,Dc = 1.426 g/cm3,F(000) = 1032,μ = 0.875 cm-1,Z = 2,the final R = 0.0496 and wR = 0.1100 for 5365 reflections with Ⅰ 2σ(Ⅰ).X-ray diffraction analysis reveals that the carboxylate group of 2,4'-diphenic acids acting as bridging ligands adopts two coordination modes:bis-mondentate and bidentate chelating.The compound exhibits a two-dimensional(6,3)-connected architecture.     

Synthesis and Crystal Structure of a Novel 3D Magnesium(II) Coordination Polymer Constructed by Flexible Benzene-1,4-dioxyacetate

1 INTRODUCTION The coordination chemistry of the alkaline-earth metals has remained a largely underdeveloped area[1, 2]to date. Also calcium(II) and magnesium(II) ions are the essentially biological elements and play an im- portant role in DNA and protein syntheses. Although the transition metal carboxylates have been widely in- vestigated[3, 4], the reports on magnesium complexes with carboxylate ligands are very rare[5]. The flexible phenylenedioxydiacetic acids (BDOAH2), especial…     

Synthesis and Crystal Structure of a Copper(II) Complex with Benzilic Acid and 1,10-Phenanthroline

A new complex [Cu(phen)3][(C6H5)2C(OH)COO]2·6H2O was prepared by self-assembly of benzilic acid, 1,10-phenanthroline (phen), and copper perchlorate. It crystallizes in triclinic, space group P1, with a = 1.14661(17), b = 1.6455(2), c = 1.6457(2) nm, α = 74.779(2), β = 74.904(3), γ = 84.424(3)o, V = 2.8914(7) nm3, Dc = 1.340 g/cm3, Z = 2, F(000) = 1218, GOOF = 1.018, the final R = 0.0643 and wR = 0.1633. The crystal structure shows that the copper ion is coordinated with six nitrogen atoms from six 1,10-phenanthroline molecules, forming a distorted octahedral coordination geometry.     

抗菌药物柳氮磺胺镉配聚物的合成和晶体结构

0 Introduction Crystal engineering of pharmaceutical solids rep- resents a fertile and emerging research filed[1]. The im- petus for discovery of diverse crystal forms of drugs stems from the critical need to balance stability, bioavailability and other performance characteristics as well as provides valuable intellectual property pro- tection. Sulfasalazine (synonyms salazopyridine and salazosulfapyridine, abbreviated as H-SSZ) is a conju- gate of 5-aminosalicylic acid and sulfapyridine pos…     

一维链状铜配位聚合物[Cu(bpb)0.5(CH3COO)2]n的合成与晶体结构

A coordination complex of [Cu(bpb)_0.5(CH₃COO)₂]_n (bpb=1,4-bis(pyridine-3-aminomethyl)benzene) has been synthesized and characterized by elemental analysis, IR spectra, TG and X-ray single crystal diffraction. The title complex crystallizes in triclinic with space group P1, a=0.771 98(15) nm, b=0.827 62(17) nm, c=1.116 0(2) nm, α=96.71(3)°, β=90.03(3)°, γ=105.39(3)°, and V=0.682 4(3) nm³, Z=2, R=0.042 4, wR=0.091 1. The title complex is composed of dicopper tetracarboxylate units. Copper(Ⅱ) atom asumes a square-pyramidal coordination geometry formed with one pyridyl N atom from bpb and four O atoms from four bridging acetate anions. Two adjacent dicopper tetracarboxylate units are linked into a 1D chain by the bpb ligands, which were further connected by inter-chain hydrogen bonds to form a 2D network structure. CCDC: 667605.     

Hydrothermal Synthesis and Crystal Structure of a Square Grid Coordination Copper(II) Polymer from 1,4-Bis(imidazole-1-ylmethyl)benzene

1INTRODUCTION The employment of transition metal ions and ap-propriate bridging ligands has become a dominant theme in the construction of some interesting ar-rays[1,2],especially for the large square grid net-works.Recently,considerable research effort has been focused on the studies of polymeric frame-works with the ligands based on imidazole.These polymers are of great interest not only due to their intriguing topologies but also the potential applications in ion exchange,magnetic and e…     

含磷钼酸及2,2’-联吡啶-3,3’-二羧酸配体的铜配位聚合物的合成、晶体结构与电化学性质

在水热条件下合成了一个新的化合物{[Cu4(PMo12O40)(H2O)5(H2bpdc)(Hbpdc)(bpdc)2].6H2O}n(H2bpdc=2,2′-联吡啶-3,3′-二羧酸),并用元素分析、IR、TG和X-射线衍射等手段进行了表征。结果表明本化合物的晶体结构中,最小不对称单元包含1个[Cu4(H2O)5(H2bpdc)(Hbpdc)(bpdc)2]3+阳离子,1个[PMo12O40]3-阴离子和6个结晶水分子。Cu(Ⅱ)与相邻[PMo12O40]3-的桥氧原子配位,形成一维链状结构。电化学研究表明,化合物存在三步氧化还原过程。     

一维链状铜配位聚合物[Cu(m-BDOA)(bipy)·H2O]n的合成与晶体结构

A novel coordination polymer, [Cu(m-BDOA)(bipy)·H₂O]_n (m-BDOA^2-=benzene-1,3-dioxyacetate), was synthesized and characterized by elemental analysis, IR spectra, X-ray single crystal structure analysis. Crystallographic data are as follows: orthorhombic, space group Pna2₁, a=1.606 9(3) nm, b=1.685 9(3) nm, c=0.699 7(1) nm, V=1.8955(7) nm³, Z=4, D_c=1.619 g·cm^-3, μ=1.200 mm^-1, F(000)=948，R=0.038 1, wR=0.038 6. The copper atom is five-coordinated involving two oxygen atoms of different m-BDOA^2- ligand, two nitrogen atoms of 2,2′-bipy ligand and one coordinated water, there is a distorted square pyramidal environment. Two copper atoms are bridged by m-BDOA^2- ligand, forming a one-dimensional chain along a axis. The adjacent distance of Cu…Cu atoms is 0.877 3nm. The crystal network was formed by the intermolecular hydrogen bond and π-packing interactions.     

新型含2-噁唑啉基三角架配体-银(I)一维配位聚合物的合成与结构

通过含2-噁唑啉基三角架配体1,3,5-三(2-噁唑啉基)苯(L)与三氟醋酸银反应合成了配合物[Ag₄(L)₂(CH₃CN)₂(CF₃CO₂)₄]_n (1), 并利用元素分析、电喷雾质谱、X射线单晶衍射等方法对其进行了表征. 晶体结构解析结果显示配合物1属三斜晶系, 空间群P-1, a＝0.83731(6) nm, b＝1.22828(9) nm, c＝1.33997(10) nm, α＝102.9760(10)°, β＝107.3050(10)°, γ＝93.8600(10)°, Z＝1, R＝0.0365, wR₂＝0.0929. 该配合物是由[Ag₄(L)₂(CF₃CO₂)₂]^2＋笼状结构单元通过另外两个三氟醋酸根双桥连形成的一维链状结构. 相邻的链间通过C—H…O氢键进一步扩展为二维网状结构. 电喷雾质谱研究结果显示在实验条件下, 溶液中配合物1是以聚合状态存在的.