Crystal Structure of the Samarium Chlorosilicate Sm_3 (SiO_4)_2Cl

1INTR0DUCTIONSofarthreetyPesofstructuresoftherareearthchlorosilicateshavebeenreport-ed:La,(SiO')Cl,t"belongstoorthorhombicsystem,Ln3(SiO'),Cl(Ln=La,Pr)[z'sitomonoclinicsystem,Yb,(SiO'),Cl["toorth0rhombicsystem.WerecentlypreparedthesinglecrystalofSm,(SiO'),ClbyhightemperaturesolidstatereactionandvaportransP0rtmethod.Thoughthesamariumislightrareearthelement,thestructureisisostructuralwithYb,(SiO'),Cl.2EXPERmENTALThetitlecompoundSm,(SiO'),Clwasobtainedasanunexpectedcompoundina…     

一种新的有机胺为模板剂的稀土硫酸钐合成，结构表征以及荧光性质

本文采用正丁醇与水的混合溶剂合成一种新的以有机胺为模板剂的硫酸钐盐:[C2N2H10]1.5[Sm(SO4)3(H2O)].2H2O(1),并通过X-射线衍射、红外、热重及元素分析对其进行了表征。该化合物晶体属于单斜晶系,P21/c空间群。其中a=0.65515(9)nm,b=2.648 3(4)nm,c=0.996 15(13)nm,β=104.067 0(10)°,V=1.676 5(4)nm3,Z=4。晶体结构分析显示化合物1中的波浪形层状结构由SmO9多面体与SO4多面体构成,同时非配位水与乙二胺通过氢键连接相邻的两个层。化合物1具有较强的荧光。     

有机杂化含Te2^2-／Se3^2-过渡金属化合物的溶剂热合成及晶体结构

本文通过溶剂热法合成了2种新的有机杂化锌碲化物[Zn(dien)2](Te2)(1)和镍硒化物[Ni(dien)2](Se3)(2)(dien=二乙烯三胺),单晶X射线衍射分析结果表明,化合物1属于正交晶系,Cmca空间群,晶胞参数:a=9.212(2),b=10.854(3),c=15.723(4),Z=4。化合物2属于正交晶系,Pna21空间群,晶胞参数:a=18.047(4),b=9.8236(19),c=9.0079(19),Z=4。在两种化合物中,1的阳离子中Zn2 与2个dien螯合形成稍变形的八面体几何构型,阴离子为哑铃型的Te22-。2的阳离子中Ni2 离子与2个dien螯合形成稍变形的八面体几何构型,阴离子为‘V’字型的Se32-。     

二维网状铜(Ⅱ)配合物的合成及晶体结构表征

A Cu(Ⅱ) complex [Cu(L)_1.5(OSO₃)]·3H₂O (1) [L=1,4-bis(imidazol-1-yl)benzene] was synthesized by reaction of ligand L with CuSO₄·5H₂O using solvothermal method and its structure was determined by X-ray crystal structure analysis. The structure indicates that the complex crystallizes in triclinic, space group P1 with a=0.948 8(2), b=1.078 5(2), c=1.108 4(2) nm, α=74.820(2), β=81.331(2), γ=72.638(2)°, V=1.041 5(3) nm³, Z=2, D_calc=1.687 g·cm^-3, F(000)=544, μ=1.205 cm^-1, the final R=0.062 3 and wR=0.132 8. The Cu(Ⅱ) atom has distorted square-pyramidal environment with a N₃O₂ donor set. Each L ligand links two Cu(Ⅱ) atoms using its imidazole groups to form an infinite one-dimensional (1D) ladder-like chain, which further linked by SO₄^2- to form a two-dimensional (2D) network structure. The 2D sheets are further connected by C-H…O hydrogen bonds to give a three-dimensional (3D) structure. CCDC: 650388.     

Synthesis and Crystal Structure of a New Layered Ternary Tantalum Telluride TaNi_2Te_3

ＳｙｎｔｈｅｓｉｓａｎｄＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆａＮｅｗＬａｙｅｒｅｄＴｅｒｎａｒｙＴａｎｔａｌｕｍ　ＴｅｌｌｕｒｉｄｅＴａＮｉ_２Ｔｅ_３ＺｈａｎｇＢｉｎ；ＷａｎｇＺｈｅ－Ｍｉｎ；ＬｉｕＳｈｉ－Ｘｉｏｎｇ；ＨｕａｎｇＪｉｎ－Ｌｉｎｇ（Ｄｅ...     

Crystal Structure of Tris（m—nitrobenzoato）Samarium Dihydrate

ＣｒｙｓｔａｌＳｔｒｕｃｔｕｒｅｏｆＴｒｉｓ（ｍ－ｎｉｔｒｏｂｅｎｚｏａｔｏ）ＳａｍａｒｉｕｍＤｉｈｙｄｒａｔｅＭａＪｉａｎ－Ｆａｎｇ；ＪｉｎＺｈｏｎｇ－Ｓｈｅｎｇ；ＮｉＪｉａ－Ｚｕａｎ（ＬａｂｏｒａｔｏｒｙｏｆＲａｒｅＥａｒｔｈＣｈｅｍｉｓｔｒｙａ...     

Synthesis and Supramolecular Structure of a Novel :r-Extended TTF Derivative

A novel x-extended TTF derivative (C24H20N6S8, Mr=649.02) has been synthesized and characterized by IR,1H NMR and MS. The crystal structure was prepared by crystallization from CH2Cl2-MeOH. The crystal belongs to the monoclinic system, space group P21/c with a=5.465(5), b=26.835(5), c=10.180(5) A, β=101.929(5)°, V=1460.7(15) A3, Z=2, Dc=1.476 g/cm3,F(000)=668,μ=0.638 mm-1, the final R=0.0390 and wR=0.0586 for 1694 observed reflections with I > 2σ(I). The structure reveals planarity of the two dithiole tings, different from the boat-shaped structure usually found in neutral derivatives of TTF. The central ring of the benzene also adopts a planar conformation, while it is twisted from planarity of the two dithiole rings and forms a dihedral angle of 61.8°. The molecule exhibits a three-dimensional supramolecular architecture constructed through hydrogen bonds. In the molecular structure a noticeable feature can be found that there exist S…S interactions which further reinforce the 3D supramolecular framework.     

三苄基锡吗啉二硫代氨基甲酸盐的合成、表征及晶体结构

利用三苄基氯化锡和吗啉二硫代氨基甲酸钠反应,合成了三苄基锡吗啉二硫代氨基甲酸盐。通过元素分析、红外光谱、核磁共振氢谱和质谱对其结构进行了表征。用X-射线单晶衍射测定了该化合物的晶体结构。化合物为三斜晶系,空间群P1,a=0.98417(16)nm,b=1.08163(19)nm,c=1.3788(2)nm,α=72.850(3)°,β=88.895(3)°,γ=64.231(3)°,Z=2,V=1.2528(4)nm³,D_x=1.469g·cm^-3,μ(MoKα)=1.204mm^-1,F(000)=564,R₁=0.0215,wR₂=0.0531。化合物中,锡原子呈五配位畸变三角双锥构型。     

Molecular Structure of Samarium Dibromide

The molecular structure of samarium dibromide has been studied by electron diffraction at T _exp = 1250(50) K. The molecule has C_2v symmetry; the internuclear distance R_g(Sm–Br) = 274.5(5) pm; _g =131(6)°. The vibration frequencies were estimated from the experimental values of the mean square vibration amplitudes.     

Synthesis and Crystal Structure of Carvedilol

1INTRODUCTI0NCarvedilol,1-(4-carbazolyloxy)-3-[2-methoxyphenoxy)ethylaminoj-2-propanol,isanewgblockingandvasodilatingagent"'.IthadsynthesizedbyF.Wiedemannetalt23.Howeverthereportaboutcrystalstructureofcarvedilolhasnotbeenseen.Inthispaper,wediscussthecrystalstructureofthecarvedilolsynthe-sized[2ibythereacti0nof4-(2,3-ex0xypropoxy)-carbazoleand2-(2-methoxyphe-noxy)ethylamine.Sinceknowledgeofthemolecularandcrystalstructureofcarvedil0lwasconsideredusefulforunderstandingthemechanismoftheactio…     

含八齿苦味酸根的超分子苦味酸钾的合成和结构

A supramolecular complex， [Kpic]_n (pic^- is picratol， (NO₂)₃C₆H₂O^-)， has been synthesized unexpectedly in acetone solution， and characterized by elemental analysis， IR and X-ray crystallography. In the complex， the K⁺∶pic^- is 1∶1， and one K(Ⅰ) ion is surrounded by six picrate anions， one picrate anion can coordinate to six K(Ⅰ) ions. The coordination number of every potassium atom is eight. Interestingly， the picratol adopts an eight-coordinated ideal mode unreported. CCDC: 630627.     

Synthesis,Characterization and Crystal Structure of an Unsymmetric Samarium(III) Cryptate

Abstract

The complex [Sm(H₃L)(NO₃)(H₂O)](NO₃)₂ · H₂O was synthesized by the (2+3) condensation of tris(2-aminoethyl)amine with 2,6-diformyl-4-chlorophenol in the presence of Sm³⁺. Its crystal structure has been determined. In the complex the coordination number of Sm³⁺ is nine. A water molecule is encapsulated in the cryptate as a guest, confirmed by electrospray mass spectrometry, thermal analysis and the X-ray crystal structure.     

取代萘并吡喃的合成和晶体结构研究

以芳醛、丙二腈（或氰乙酸酯）、β－萘酚为原料在六氢吡啶存在下以乙醇为 溶剂一锅合成了取代萘并吡喃，产物的结构通过单晶X射线衍射分析确定。     

双缩二氨基硫脲类化合物的合成与结构

合成了1，5-二（4-甲氧基苯甲醛）双缩二氨基硫脲（1），1，5-二（对二甲 基氨基苯甲醛）双缩二氨基硫脲（2），1，5-二（2-呋喃甲醛）双缩二氨基硫脲（ 3）三个化合物，并通过元素分析、红外光谱、核磁共振、质谱进行了结构表征。 首次报道了双缩二氨基硫脲类化合物的^13C NMR数据，并发现在溶液中由于构象异 构体或二聚体的存在，该类化合物的部分^13C NMR谱峰出现矮而宽、不易检测的特 征。配体1形成的晶体为单斜晶系，具有P21/c空间群，a=1.4363(3)nm，b=1.2622 (2)nm，c=1.0970(2)nm，β=101.730（10）°，V=1.9472（6）nm^3，Z=4，Dc=1. 318g/cm^3，μ=0.193mm^-1，F(000)=816，R1=0.0560，ωR2=0.1496。由于分子间 弱氢键力的作用，在晶体中以二聚体的形式存在。     

氰尿酸钡的晶体结构

报道了氰尿酸钡［Ｂａ（Ｃ_３Ｈ_２Ｎ_３Ｏ_３）_２·（Ｈ_２Ｏ）_２］的晶体结构。晶体属三斜晶系，空间群为Ｐ１，晶胞参数为：ａ＝８．８８４（３）．ｂ＝９．４２２（４），ｃ＝７．２０１（４）Ａ，α＝９７．７５（４），β＝１０１．７６（４），γ＝８５．０５（３）°；Ｍ_ｒ＝４２９．４９，Ｚ＝２，Ｄ_ｃ＝２．４４ｇ／ｃｍ~３。Ｖ＝５８３．６（４）Ａ~３，μ＝３４．５６ｃｍ~（－１），λ（ＭｏＫα）＝０．７１０６９Ａ，Ｆ（０００）＝４１２，Ｉ＞３σ（Ｉ）的衍射点２０９１个。结构用ＴＥＸＳＡＮ程序包以直接法解出，经全距阵最小二乘法修正，最后Ｒ因子为０．０２９，Ｒ_ω＝０．０３７．中心离子Ｂａ~（２＋）的配位数为１０，Ｂａ~（２＋）离子处于６个配位原子形成的平面的中心位置上，另外４个配位原子则处于平面外，分布在Ｂａ~（２＋）离子的周围。     

新型含氟α-氨基膦酸酯的合成和晶体结构

利用含氟苯基亚胺与亚磷酸酯反应,合成了新型含氟α-氨基膦酸酯,通过元素分析、红外光谱、质谱、核磁共振氢谱对其结构进行了表征.X射线单晶衍射测试结果表明:化合物为三斜晶系,空间群P1,a=1.0178(6)nm,b=1.0354(6)nm,c=2.2534(13)nm,α=77.413(10)°,β=78.340(10)°,y=77.540(10)°,V=2.233(2)nm3,Z=4,Dc=1.289 Mg·m-3,μ=O.175 mm-1,F(000)=904.0,最终偏离因子R=0.0728,wR=0.1724.     

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.     

Hydrothermal Synthesis,Crystal Structure and Thermal Properties of a Novel Samarium Complex with 1D Nano-chain Structure

1 Introduction The design and construction of metal-organic polymers has been a field of rapid growth in materials chemistry because of their intriguing topologies and potential applications as functional materials[1―6]. In     

呋喃醛双缩二氨基硫脲腙的合成和结构测定

由ＣＳ＿２，Ｎ＿２Ｈ＿４和Ｃ＿４Ｈ＿３ＯＣＨＯ合成Ｃ＿（１１）Ｈ＿（１０）Ｎ＿４Ｏ＿２Ｓ·１／２ＤＭＦ，Ｍ＿ｒ＝２９８．７９，橙黄针状晶体，三斜晶系，空间群Ｐ１，ａ＝８．９１２（３），ｂ＝９．９８９（３），ｃ＝１６．１０７（４），ａ＝８３．６１８（６），β＝８７．１０５（５），γ＝８６．１１５（３）°，Ｖ＝１４２０．４，Ｚ＝４，Ｄ＿ｘ＝１．３９７ｇ／ｃｍ￣３，λ（ＭｏＫα）＝０．７１０７３，μ＝２．１７０ｃｍ￣（－１），Ｆ（０００）＝６１６。３２２６个可观察的独立反射（Ｉ＞３σ（Ｉ）使结构顺利解出，并精修到Ｒ＝０．０４８，△ρ＿（ｍａｘ）＝０．２８６。单晶体结构分析表明不对称单位含有二个非结晶学对称相关的独立分子和一个溶剂分子ＤＭＦ，通过ＤＭＦ中的ｏ原子和亚胺Ｈ形成Ｎ－Ｈ…Ｏ…Ｈ－Ｎ类型双氢键，使两个分立分子缔合一起而自成独立的结构单元。     

二苄基锡双(吗啉荒酸酯)的合成、表征及晶体结构

Dibenzyltin bis(dithiomorpholinocarbamate) was synthesized by the reaction of dibenzyltin dichloride with dithiomorpholinocarbamate. The compound was characterized by elemental analysis, IR, ¹H NMR and MS. and the crystal structure was determined by X-ray single crystal diffraction. The crystal belongs to orthorhombic with space group Pca2₁, a=1.8327(3)nm, b= 0.65678(12)nm, c=2.2583(4)nm, Z=4, V=2.718 (9)nm³, D_x=1.528g·cm^-3,μ=1.271mm^-1, F(000)=1272, R₁=0.0434, wR₂=0.1152. In the crystals, the structures consist of discrete molecules containing six-coordinate tin atoms in a distorted octahedron configuration.