Syntheses and Crystal Structures of Two New Metal Phosphonates:[Mn(H_2O)_2(C_(12)H_8N_2)(HO_3PCH_2CH_2CO_2)] and [Co(H_2O)_4(C_(10)H_8N_2)]·(HO_3PCH_2CH_2CO_2)

By the reactions of manganese(II) acetate, 2-sulfoethylphosphonic acid, 1,10-phen (1,10-phen = 1, 10-phenanthroline) or cobalt(II) acetate, 4,4'-bipy and 2-carboxyethylphosphonic acid, two novel compounds of [Mn(H2O)2(C12H8N2)(HO3PCH2CH2CO2)] (1) and[Co(H2O)4 (C10H8N2)]· (HO3PCH2CH2CO2) (2) have been synthesized and characterized by IR spectroscopy, elemental analyses and single-crystal X-ray diffraction. Compound 1 has a 0D structure. Two Mn(II) ions are linked by two 2-carboxyethylphosphonic acid ligands, forming a centrosymmetric dimer. These dimers are further interlinked into a 2D layer structure by π-π stacking interactions and hydrogen bonds. Compound 2 has a 1D chain structure. The 2-carbo- xyethylphosphonic acid remains uncoor- dinated and acts as the organic template. By the bridge of 4,4'-bipy, the [Co(4,4'-bipy)]2+ chains are formed.     

牛磺酸缩邻香草醛席夫碱铜配合物[Cu（C12H8N2）（C10H11NO5S）]·3．5H2O的合成及晶体结构

含硫席夫碱及其金属配合物具有抑菌、抗癌和抗病毒的生物活性,有些含O、N席夫碱金属配合物具有仿酶催化活性。而氨基酸席夫碱配合物具有良好的生理活性,近年来得到人们的普遍重视。2-氨基乙磺酸（牛磺酸）作为生物体内一种特殊的氨基酸,对它的研究主要集中在生理和病理方面,     

[Co(pyr)_2(sal)_2]·H_2O的合成和晶体结构

在水溶液中合成了标题配合物[Co(pyr)2(sal)2]H2O, 化学式为C24H22N2O5Co,并测定了其晶体结构。晶体属单斜晶系,C2/c空间群。a = 14.654(3),b = 12.247(3),c = 14.060(3) ,β = 116.804(4)°,V = 2252.1(8) 3, Mr = 477.37, Z = 4, Dc = 1.408 g/cm3,μ = 0.800 mm-1,F(000) = 988, Co(Ⅱ)原子是六配位的八面体结构。     

牛磺酸缩邻香草醛席夫碱铜配合物[Cu(C_(12)H_8N_2)(C_(10)H_(11)NO_5S)]·3.5H_2O的合成及晶体结构

含硫席夫碱及其金属配合物具有抑菌、抗癌和抗病毒的生物活性[1-3],有些含O、N席夫碱金属配合物具有仿酶催化活性[4].而氨基酸席夫碱配合物具有良好的生理活性,近年来得到人们的普遍重视[5,6].2-氨基乙磺酸(牛磺酸)作为生物     

镍配合物[Ni(phen)_2(tovsb)]·4H_2O的合成与晶体结构(英文)

以牛磺酸、邻香草醛为原料,合成了配体牛磺酸缩邻香草醛席夫碱,再用所得配体与醋酸镍、邻菲啰啉作用,合成了配合物 [Ni(phen)2(tovsb)]·4H2O(phen=邻菲啰啉,tovsb=牛磺酸缩邻香草醛席夫碱),其结构通过IR,元素分析和X-射线单晶衍射法测定.标题配合物属三斜晶系,Pī空间群;a=1.04661(16),b=1.2303(2),c=1.4063(2) nm,α=83.714(4),β=88.539(3),γ=69.398(3)°,V=1.6947(5)nm3,Z=2.结构分析表明,两个邻菲啰啉共提供四个配位原子,牛磺酸缩邻香草醛席夫碱提供两个配位原子,中心Ni(II)离子是一个六配位的畸变八面体结构.该聚合物中含有四个结晶水分子,水分子通过氢键作用,形成了一个六聚水簇,配合物分子通过氢键和π-π堆积作用形成三维超分子结构.     

牛磺酸合铜螯合物的合成及晶体结构

The new chelate complex formulated [Cu(NC₂H₆SO₃)(phen)(CH₃CO₂)]·2H₂O (phen is o-phenanthroline) has been synthesized and the crystal structure was determined by X-ray diffraction. The crystal structure of the complex belongs to triclinic system with space group and unite cell parameters： a=7.298(1)?， b=11.573(2)?， c=11.942(3)?;α=69.77(1)°， β=80.05(1)°， γ=76.39(1)°， V=915.2(3)?³， Z=2， F(000)=478. D_c=1.680g·cm^-3， μ=1.354mm^-1， S=1.045. In the crystal structure Cu(Ⅱ) ion is five-coordinated to form a distorted tragonal cone. CCDC： 193112.     

牛磺酸与噻吩甲醛缩合形成Schiff碱反应机理的研究

用密度泛函理论(B3LYP)在6-31G**基组水平上, 对牛磺酸与噻吩甲醛缩合生成Schiff碱的反应机理进行了模拟计算, 并利用计算结果按过渡状态理论计算出反应的速率常数. 分析了质子传递介质对这类反应的催化作用原理. 研究结果对于伯胺与活性羰基化合物缩合的一类反应机理的深入研究, 以及对于与Schiff碱的生成与分解有关的生化过程的进一步探讨都有一定意义.     

牛磺酸缩5-溴水杨醛席夫碱合镍(II)配合物的合成及晶体结构

The reaction of Ni(Ac)₂, Taurine, 5-bromo-salicylaldehyde afford a complex, [Ni(C₉H₈BrNO₄S)(H₂O)₃]·H₂O. Its structure has been determined by single crystal X-ray diffraction. It crystallizes in monoclinic, P2₁/c, a=1.479 98(6) nm, b=1.397 97(6) nm, c=0.746 60(3) nm, β=99.364(2)°, V=1.524 11(11) nm³. Nickel(II) coordinated with six atoms, forming a octahedron. These octahedrons are further interlinked by the hydrogen bonds. CCDC: 639681.     

Octa-membered Water Ring Chain Based on Sulfonic Group in Ni(II) Complex with 2-[(E)-(2-Oxidophenyl)methyleneamino] Ethanesulfonato and 2,2′-Bipyridinyl

The title compound, [Ni(tssb)(2,2-bipy)2]·5(H2O) 1 (tssbH2 =2-[(E)-(2-oxido- phenyl)methyleneamino]ethanesulfonato, 2,2-bipy = 2,2′-bipyridinyl), belongs to orthorhombic, space group Pbcn with a = 20.3983(18), b = 17.6929(15), c = 17.0897(15) nm, V = 6167.8(9) nm3, Mr = 688.38, Z = 8, Dc = 1.481 g·cm-3, F(000) = 2880, μ = 0.758 mm-1 and S =1.099. Each NiII atom is six-coordinated by one N and one O atoms from one tssb2-anion and four N atoms from two 2,2-bipy ligands to give a distorted octahedral geometry. Noticeably, there exists a rare octa-membered water ring which presents a 1D chain by sulfonic group.