Synthesis and Crystal Structure of [Ca（DMF）6][Mo6Br8Cl6]

1INTRODUCTION Molybdenum(II)halide clusters containing[Mo6-X8]4 cores have been the subject of interest for over five decades[1].This octahedral cluster-type comple-xes comprise an important,and in a sense archetypal,class of higher nuclearity transition metal cluster com-plexes.Their high symmetry,photochemical and pho-tophysical properties as well as structural relation-ships to cluster complexes of other elements exhibit significant interest[2].In addition,there is a structural simila…     

Synthesis, Crystal Structure and Fluorescence Property of [Y（sip）（H2O）4]n with 5-Sulfoisophthalate Ligand

1 INTRODUCTION Recently, much attention has been focused on metal- organic coordination polymers for their structural novelty and potentially important applications as advanced materials[1～3]. With the development of crystal engineering and supramolecular chemistry, it is possible to use organic ligands and metal salts to construct metal-organic coordination polymers pos- sessing some specific properties. Furthermore, inve- stigations on coordination complexes containing rare earth ion ha…     

4-氯-2-甲基吡啶并[3,2-d]嘧啶的合成

吡啶并嘧啶类衍生物具有较好的生物活性,4-氯-2-甲基吡啶并[2,3-d]嘧啶是一种重要的医药中间体,已报道的合成方法成本较高且操作繁琐,不适合工业化生产.本文以2-氯-3-硝基吡啶为起始原料,经取代、还原、环合等5步反应得到目标化合物,产物结构经1 H NMR,13C NMR和MS确证,总收率为33％.该路线具有成本...     

Crystal Structure of HAsUO6 4H2O

The crystal structure of HAsUO₆ 4H₂O was solved at 295 K by X-ray analysis. Reasons for structural changes due to temperature variation are analyzed.     

Synthesis and Crystal Structure of a 3-D Hydrogen-bonded Supramolecular Decavanadate Compound [Habo]6[V10O28]·2C3H7OH·2H2O

A new inorganic-organic hybrid supramolecular compound [Habo]6[V10O28]·solvents and its crystal structure was reported as follows: monoclinic, space group P21/n, a =11.419(9), b = 16.811(16), c = 15.521(12) (A), β= 102.98(2)°, V= 2903(4) (A)3, Z = 4, C15H46N3O19V5,Mr = 827.25, Dc = 1.893 g/cm3, λ(MoKα) = 0.71073 A,μ = 1.636 mm-1, F(000) = 1696, the final R =0.0696 and wR = 0.1361 for 4641 observed reflections with I ＞ 2σ(I). The compound is based on decavanadate clusters [V 1oO28]6-. The hydrogen bonding interactions among Habo+ cations, solvents and decavanadate clusters extend 1 into a three-dimensional supramolecular architecture.     

Synthesis and Crystal Structure of 9-Amino-7-（2-chlorophenyl）-6H-benzo[c]thiochromene-8,8,10（7H）-tricarbonitrile DMF Solvate

The title compound 9-amino-7-(2-chlorophenyl)-6H-benzo[c]thiochromene-8,8,10(7H)-tricarbonitrile DMF solvate(C25H20ClN5OS,Mr = 473.97) was synthesized and crystallized.The crystal belongs to triclinic,space group P1 with a = 7.6393(2),b = 10.5212(3),c = 15.0573(4) ,α = 86.797(1),β = 79.445(1),γ = 75.379(1)°,Z = 2,V = 1151.16(5) 3,Dc = 1.367 g.cm-3,μ(MoKα) = 0.285 mm-1,F(000) = 492,R = 0.0389 and wR = 0.1005 for 3455 observed reflections(I > 2σ(I)).X-ray analysis reveals that the new six-numbered ring(C(1)-C(6)) forms a skew boat conformation.The molecule links a molecule of DMF via the N(1)-H(1A)...O(1) hydrogen bond,while another hydrogen bond C(23)-H(23A)...N(2) links adjacent molecules,forming dimmers along the a axis.     

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.     

Synthesis and Crystal Structure of Bisaqua-[N,N'-bis(3,5-dichlorosalicylidene)-1,3-diaminopropano]zinc(II)

1 INTRODUCTION N,N?-Bis(salicylidene)-1,3-diaminopropane (BSDP) is a versatile tetradentate ligand, which forms stable complexes with a large number of transition metals[1～3]. However, the complexes related to the BSDP deriva- tive,N,N?-bis(3,5-dichlorosalicylidene)-1,3-diamino- propane (BCDP), have been seldom reported. The prime interest in these complexes is their ability to afford functional solid materials with potentially controllable properties and novel molecular struc- tur…     

Synthesis and Crystal Structure of 2-Chloromethyl-1H-benzimidazole Nitrate, [ClCH_2(C_7H_6N_2)]NO_3

1 INTRODUCTION Benzimidazole is an interesting heterocyclic compound because it is found in various naturally occurring drugs, such as omeprazole, astemizole and emedastine difumarate[1]. The efficacy of sub- stituted benzimidazoles in the treatment of parasitic infections is well known[2～4]. Substituted benzimid- azole moieties are established pharmacophores in parasitic chemotherapy. Bis(2-benzimidazole) and some substituted bis(benzimidazol-2-yl)alkanes have attracted much interest …     

新型噻唑并[3,2-a]嘧啶类化合物的合成

5-乙氧羰基-4-芳基-6-甲基-3,4-二氢嘧啶-2-酮与丁炔二酸二甲酯反应, 合成了系列新的噻唑并[3,2-a]嘧啶类化合物, 反应具有时间短、收率高、后处理简单等优点. 采用NMR (1H, 13C, COSY, HSQC和HMBC), IR等多种谱学技术, 结合元素分析对产物进行详细表征, 通过对目标产物的1,3-偶极环加成的衍生化产物进行X射线单晶衍射而确定目标产物的结构.     

[Cd(HO-BDC)(phen)·H2O]n的合成和晶体结构研究

A novel coordination ploymer [Cd(HO-BDC)(phen)·H₂O]_n (where HO-BDC is 5-Hydroxyisophthalic acid and phen is 1,10-phenanthroline) has been synthesized and characterized by elemental analysis, IR spectra and single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P2/c, with a=0.876 4(2) nm, b=1.233 0(3) nm, c=1.761 2(4) nm, β=109.152(9)°, V=1.797 8(7) nm³, Z=4, M_r=490.73, D_c=1.813 g·cm^-3, F(000)=976, μ=1.258 mm^-1, the final R=0.043 8 and wR=0.098 9 for 2 880 observed reflections with I>2σ(I). The structural analysis shows that the complex has a one-dimensional chain structure. CCDC: 609770.     

Synthesis and Antitumor Activities of Novel 4-Morpholinothieno [3,2-d]pyrimidine Derivatives

A series of novel 2-hydrazinyl-4-morpholinothieno[3,2-d]pyrimidine derivatives was designed and synthesized.All of them were screened for their cytotoxic activities against large cell lung cancer（H460）,colon cancer （HT-29） and adenocarcinomic lung cancer（A549） cell lines in vitro.The pharmacological results indicate that most of the target compounds show moderate to significant activities.Especially compound 17 exhibits the most potent antitumor activities against H460,HT-29 and A549 cell lines with IC50 values of 0.57,0.45 and 1.45 μmol/L,respectively.     

Synthesis and Crystal Structure of a 3-D Hydrogen-bonded Supramolecular Decavanadate Compound [Habo]_6[V_(10)O_(28)]·2C_3H_7OH·2H_2O

1 INTRODUCTION The chemistry of polyoxometalates has been at- tracting much attention due to the richness in their structures, electron and proton storage abilities, ther- mal stability and applications in catalysis, medicine and surface sciences[1～3]. In recent years, the mixed- valence as well as full oxidized vanadium polyoxo- anions have been crystallized with a variety of orga- nic molecules as counteranions[4～8]. However, the guiding principles of the crystal structures of poly- o…     

配合物形成的三维超分子体系—[Ni(C_6H_4O_2N)_2(H_2O)_4]的水热法合成、晶体结构及热分析

采用水热法用Ni(NO3)26H2O和异烟酸制备出了一种新的由配合物形成的三维超分子体系—[Ni(C6H4O2N)2(H2O)4],并通过X射线衍射对其晶体结构进行了测定。 该晶体属三斜晶系,空间群为Pī, 所得晶胞参数为: a = 6.9228(4), b = 9.6664(19),c = 6.322(1) , a = 96.86(3), b = 113.33(3), g = 110.35(3)°, V = 347.6(1) 3, Z = 1, Mr = 374.98, Dc = 1.791 g/cm3, F(000) = 194, m = 1.443 mm-1。用1362个可观察的 (I > 2s(I))衍射点,修正123个结构参数, 最终偏离因子R = 0.0444,wR = 0.1271。在组成该化合物的基本结构单元[Ni(C6H4O2N)2(H2O)4]中,Ni处于1个稍微拉长的八面体的中心; 各个结构单元之间通过氢键OH…O相互连接,形成了无限伸展的具有层状结构的三维超分子体系。 另外,从差热及热重曲线可以看出,该化合物加热到154 ℃时开始分解, 首先失去4个H2O,再失去2个异烟酸根,最后残余物为NiO。     

Synthesis and Crystal Structure of Dichlorodianiline Palladium （Ⅱ） （C6H5NH2）2PdCl2

1 INTRODUCTION Palladium compounds have attracted much attention as a consequence of their application in homogeneous and heterogeneous catalyses[1]. For instance, palladium compounds are the most active catalysts for the carbonylation, such as palladium-catalyzed carbonylation of nitroarenes, aryl halides, alkyne and so on[2～4]. Some dramatic results in the homogeneous catalysis of the reactions of organic compounds, particularly the successful commercial exploitation of the Wacker on…     

Synthesis and Crystal Structure of a Cyano-bridged Bimetallic Complex[La(betaine)_2(H_2O)_6Fe(CN)_6]·2H_2O

1 INTRODUCTION In the last decade, cyano-bridged Prussian Blueanalogues[1] have been intensively studied from theviewpoint of application as functionalized molecule-based magnets[2], chemical sensor materials[3], fluo-rescent materials[4] and zeolitic-type materials[5, , 6]etc. In 1976, a series of cyano-bridged three-dimen-sional rare earth hexacyanometalates(IIILnM(CN)6?nH2O (M = Fe or Cr, n = 4 or 5) were crystallized andsubjected to single-crystal X-ray analysis[7]. …     

希夫碱N,N′-双水杨醛缩连氮的合成与晶体结构研究

由水杨醛与水合肼反应生成希夫碱N ,N′ 双水杨醛缩连氮 ,并用溶液法生长其单晶。X 射线单晶结构分析表明 ,此晶体属于单斜晶系 ,P2 ( 1) /n空间群 ,晶胞参数为 :a =8.4 97( 4 ) ,b =6 .2 90 ( 3) ,c =11.789( 5 ) ,β=10 7.874 ( 7)° ,V =5 99.6 ( 4 ) 3 ,Z =2 ,Dc =1.331g·cm-3 ,F ( 0 0 0 ) =2 5 2 ,结构偏离因子R =0 .0 4 6 9,wR2 =0 .110 8。晶体中一个分子羟基上的氧原子与另一个分子中 -CH =N -上的氢原子之间形成分子间氢键 (O┄H -C)。     

Hydrothermal Synthesis and Crystal Structure of [H_4As_8V_(14)O_(42)(H_2O)]·6H_2O

1 INTRODUCTION The chemistry of polyoxometalates continues to attract interest as a result of their realized and potential applications in diverse fields, such as cata- lysis, analysis, biochemistry, medicine and material science[1～3]. In the past few …     

氢键构筑的二维网状结构镍配合物[Ni(en)2(dpas)2]的合成、晶体结构及电化学性质

A new 2D Hydrogen-bonded network complex [Ni(en)2(dpas)2] (Nadpas=sodium diphenylamine sulphonic acid salt,en=ethanediamine) has been synthesized in aqueous solution,and characterized by elemental analysis,IR. The crystal structure was determined by single-crystal X-ray diffraction. The complex crystallizes in space group P21/c,with cell parameters a=0.605 6(5)nm,b=1.448 1(5) nm,c=1.711 9(5)nm,β=93.257(5)°,and V=1.498 9(14) nm3,Dc=1.497 g·cm-3,Z=2,F (000)=708,R=0.027 7,wR=0.072 5. The crystal structure shows that the nickel atom is coordinated with four nitrogen atoms from the two en and two oxygen atoms from two dpas to form a mononuclear complex. Furthermore,the adjacent complex units are extended into a 2D supramolecular network through hydrogen bonds.     

Synthesis and Crystal Structure of 4-Salicylimine-3,5-bis(2-hydroxyphenyl)-1,2,4-triazole

1 INTRODUCTION 1, 2, 4-Triazole and its derivatives have gained great attention as ligands to transition metals by the fact that they unite the coordination geometry of both pyrazoles and imidazoles, and in addition exhibit a strong and typical property of acting as bridging ligands between two metal centers. In this bridging capacity, the 1, 2, 4-triazole ligands show a great coordination diversity, especially when the triazole nucleus are substituted with additional donor groups[1]. In…