一维链状配位聚合物[Ag(bix)(NO3)(H2O)]n的合成和晶体结构

A one-dimensional (1D) Z conformation coordination polymer, [Ag(bix)(NO₃)(H₂O)]_n was obtained by the reaction between AgNO₃ and flexible ligand of 1,4-bis(imidazol-1-ylmethyl)-benzene under hydrothermal conditions. It crystallizes in triclinic with space group P1. The crystallographic data of the compound are: a=0.777 1(2) nm, b=1.043 4(3) nm, c=1.082 7(3) nm, α=71.403(4)°, β=80.946(5)°, γ=88.794(4)°. The 1D chainlike structure was connected by π-π interaction between phenyl rings, leading to a 2D layered network. The lattice water and the NO₃^- anions were involved between the layers, therefore the 2D layered structure further extended to an intricate 3D framework. CCDC: 257100.     

化合物[2,6-bis(benzo[1,2-d:4,5-d′]diimidazole-2′-yl)pyridine] 的合成、晶体结构和光物理性质

A new tridentate benzimidazole derivative, 2,6-bis (benzo[1,2-d:4,5-d′]diimidazole-2′-yl) -pyridine (Bzdiimpy),was prepared from o-phenylenediamine in five steps with improved methods according to the literature in good yield.The crystal structure was determined by X-ray diffraction analysis. It crystallized in monoclinic, space group P21/c,with a=1.1708(4) nm, b=2.4796(9) nm, c=1.215 9(4) nm,β=114.641(7)°, Z=1, R=0.035 0, wR2=0.0890. The bzdiimp molecule displayed an almost planar structure and formed a zig-zag chain through weak interactions between imidazole-N and [SnCl6]2--Cl. Its electronic absorption and emission spectra were measured and compared with the reported analogue 2,6-bis (benz[1,2-d:4,5-d′]imidazole-2′-yl)-pyridine (Bzp).     

芳香碘基辅助的配位超分子自组装——锌(II)、镉(II)与7-碘-8-羟基喹啉-5-磺酸配合物的合成和结构

合成了锌 (II)、镉 (II)与 7 碘 8 羟基喹啉 5 磺酸 (IHQS)的两种单晶配合物 [Zn(IHQS) (H2 O) 3 ] 2 ·4H2 O ( 1)和 [Cd (IHQS) (H2 O) 2 ] n·2nH2 O ( 2 ) ,用X射线衍射法确定了结构 .结果表明 ,1和 2均由一对对映体配合物构成 :1中两个 [Zn (IHQS) (H2 O) 3 ]对映体通过磺酸基 -锌 (II)八面体轴向互补配位形成中心对称双分子聚合体 ,该聚合体通过分子间磺酸基氧 -配位水氢键形成独特的二维层状结构 ;2的两个 [Cd(IHQS) (H2 O) 2 ]对映体通过镉 (II) 磺酸基 -镉 (II)双向互补配位形成一维直线型聚合配位结构 .芳香碘基呈现新颖的碘 -芳环氢和碘 -磺酸基氧等弱相互作用模式 ,并对上述结构的支撑稳定发挥重要的结构辅助作用 .本文展示了芳香碘基、磺酸基和喹啉环三种弱相互作用基团在配位超分子自组装中的形状、空间匹配和协同促进模式 .结晶学参数配合物 1:单斜晶系 ,C2 /c空间群 ,a =2 2 2 43 ( 7)nm ,b =1 0 0 5 3 ( 3 )nm ,c =1 3 468( 4 )nm ,β =10 2 2 67( 5 )° ,V =2 942 8( 16)nm3 和Z =4.配合物 2 :三斜晶系 ,P1- 空间群 ,a =0 6949( 2 )nm ,b =1 0 183 ( 3 )nm ,c =1 0 989( 3 )nm ,α =76 0 69( 5 )° ,β =75 2 94( 5 )° ,γ =84 747( 5 )° ,V =0 72 95 ( 4 )nm3 和Z =2 .     

原子簇化合物[WS4Cu3Br(bipy)2]的晶体结构和非线性光学性质

The title cluster compound [WS₄Cu₃Br(bipy)₂] has been synthesized by the reaction of (NH₄)₂[WS₄]， CuBr and 2，2′-bipy in DMF solution. Single crystal X-ray diffraction data show that the compound has a nest-shaped structure. Nonlinear optical properties (NLO) of the cluster were investigated by a Z-scan technique with a pulsed laser at 532nm. The cluster exhibits the strong NLO absorption and a self-defocusing effect (effective non-linear absorption coefficient， α₂^eff=7.3×10^-11mW^-1; effective non-linear refractive index， n₂^eff=3.9×10^-11esu) when measured in a 6.0×10^-4mol·dm^-3 DMF solution. CCDC： 200397.     

Crystal Structure and Antitumor Activity of Tri[2-[N-（4′-methyl-benzylsulfonyl）amino]ethyl]-amine

The crystal structure of the title compound (C27H38N4O7S3, Mr = 626.79) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group Pīwith a = 9.411(1), b = 11.645(2), c = 14.672(2) (A。), α = 91.80(1), β = 95.36(1), γ =104.56(1)o, V = 1547.0 (A。)3, Z = 2, Dc = 1.346 g/cm3, λ = 0.71073 (A。), μ(MoKα) = 0.289 mm－1 and F(000) = 664. The structure was refined to R = 0.0406 and wR = 0.1177 for 4103 observed reflections with I > 2σ(I). X-ray diffraction analysis reveals that the title compound is a practically distorted tetrahedron and each molecule contains one lattice H2O by hydrogen bond. The antitumor activity of the title compound against HL-60 human leukemia cells has also been studied by MTT method.     

聚合物[Zn(pht)(pzH)2]n的合成，晶体结构与荧光性质

A Zn(Ⅱ) coordination polymer [Zn(pht)(pzH)₂]_n (where pht^2-=dianion of o-phthalic acid, pzH=pyrazole) has been synthesized and the structure was determined by X-ray diffraction. The complex crystallizes in the monoclinic space group P2₁/c, a=0.821 39(10) nm, b=1.662 2(2) nm, c=1.156 42(14) nm, β=100.349(2)°, V=1.5532(3) nm³, Z=4. Both carboxylate groups of the phthalate dianion coordinated in a monodentate mode bridged two Zn(Ⅱ) atoms forming the structure of 1-D chain. The pyrazole ligands play two different roles: one only coordinates the metal atom and the other joins the coordination polymer into a 2-D sheet via N-H…O and C-H…O hydrogen bonds besides the coordination property. A blue photoluminescence peak at 435 nm was observed in solid state at room temperature. CCDC: 227946.     

锰的两种配位聚合物的合成和晶体结构

用水热法合成2个新的三维配位聚合物：[Mn₂(Pyzca)₂Cl₂]_n (1)和[Mn₂(Pyzca)₂Br₂]_n (PyzcaH=2-Pyrazinecarboxylic acid) (2)，并对这2个聚合物进行了元素分析、红外光谱、X-射线单晶等表征。配合物1和2的晶体都属于三斜晶系，P1空间群。配合物1和2分别通过环和分子间氢键连接无限延伸形成三维网格状结构。     

N，N′-双(4-甲基-2-苯并噻唑基)-2，6-吡啶二酰胺钴(Ⅱ)配合物的合成和晶体结构(英)

Treatment of deprotonated N，N′-bis(4-methyl-2-benzothiazolyl)-2, 6-pyridicarboxamide (L^2-) with CoCl2·6H2O yields the mononuclear complex, (Et₄N)₂[CoL₂]·0.5H₂O. Single crystal X-ray structural determination has been carried out for the complex, crystal system: Monoclinic, space group: P2₁/c, a=1.444(1) nm, b=1.969(1) nm, c=2.448(1) nm, β=118.02(1)°, V=6.143 0(15) nm³, Z=4. In this complex, the central Co(Ⅱ) atom is in an octahedron environment, with four deprotonated amide-N atoms in the equatorial plane and two pyridine-N atoms in the axial positions. CCDC: 252558.     

[｛Cd(hmbdc)_2(2,2′-bipy)_2｝·H_2O]_n的合成和晶体结构

0引言由于金属和有机配体的超分子构建的拓扑多样性和在功能材料方面的潜在应用,在近几年引起化学工作者的浓厚兴趣,成为一个热门的研究领域[1￣5]。众所周知,这类聚合物具有许多特殊的性能,在新功能材料如选择性催化、分子识别、超高纯度分离材料、光电材料、新型半导体材料、磁性材料等方面的开发中显示了诱人的应用前景[6,7]。在早期合成这类超分子配位聚合物时,人们常使用含N配体,如4,4′-联吡啶,1,2-双(4-吡啶)乙烷等配体[8]。近几年来,人们常选择含O的芳香羧酸及其衍生物作配体。如具有3D穿插结构的Zn化合物｛[Zn(dpe)(OH-BDC)](d…     

含吡啶鎓阳离子的氮杂环卡宾Pd(Ⅱ)配合物的合成、结构及催化性能

合成了四个含吡啶鎓阳离子的氮杂环卡宾钯(II)三碘配合物. 通过核磁共振谱和元素分析对它们进行了表征. 同时利用X射线单晶衍射确定了其中两个配合物的晶体结构. 研究表明该系列配合物对Suzuki-Miyaura偶联具有催化活性.