二维层状GaTe的晶体结构研究

采用布里奇曼法生长出了化合物半导体GaTe,并对其晶体结构进行研究.利用X射线衍射仪对GaTe粉末和块体试样分别进行测试,确定了其晶体结构.采用透射电子显微镜对二维薄膜GaTe及二维纳米层GaTe进行观测,并结合晶体定向仪对GaTe解理面进行了定向分析.结果表明,二维薄膜GaTe及二维纳米层GaTe分别对应单斜和六方两种不同的晶体结构,并对应不同的解理面.     

The Crystal Structure of Hydrated Barium Copper Oxalate

BaCu(C₂O₄₂.6 H₂O is triclinic, P1 , with a = 6.5405(9), b = 9.202(3), c = 10.939(1) Å, α = 85.46(2), β = 79.22(1), γ = 80.45(2), V = 636.99(1) ų, Z = 2, D₀ = 2.14, D_c = 2.465 g. cm⁻³, R = 0.074, wR = 0.0746 for 2219 significant reflections |F₀|≧ 6.0σF₀. The barium has eleven coordinations and the coordination polyhedra is a capped antiprism. Six water oxygen atoms are coordinated whereas the other five are coming from the oxalate group. In the unit cell the molecules form a polymeric network. One lattice water molecule belongs to the coordinating water. The barium oxygen distances vary from 2.75 Å to 3.15 Å.     

Preparation of New Fibrous Organic-Inorganic Layered Compounds Derived from Zinc Hydroxyde

Abstract

A new preparation method of the fibrous organic-inorganic nanohybrids was established by the reaction of Zn(OH)₂ with various organic carboxylic acids. Interlayer spacings of the reaction products of Zn(OH)₂ with benzoic acid and p-phenyl azobenzoic acid were 1.46 and 2.04 nm, and these reaction products have layered structure. In IR spectra, new peaks of RCOO-Zn band appeared at around 1400 cm^?1 and 1550 cm^?1 indicating that hydroxyl groups reacted with organic carboxylic acids. SEM images of these reaction products showed fibrous morphology. The TEM image showed that the layer structure was constructed along the fiber direction.     

Structure of Dispersion-Reinforced Copper Substrate Tapes for 2G HTS

Crystallography Reports - Some features of the structure formation and mechanical characteristics of dispersion-reinforced copper substrate tapes have been studied during their manufacture. The...     

Crystal Structure of Tetrakis Imidazole Copper(II) Diadipate Complex

Abstract  The title compound, [Cu(C₃H₄N₂)₄(COO–(CH₂)₄–COOH)₂] is a neutral complex and exist as a monomeric unit. The Cu atom occupies at the center of symmetry (0, 0.5, 0) with a distorted octahedral geometry. Imidazole nitrogens N1 and N6 (Cu1–N1 = 1.993(3) ?; Cu1–N6 = 2.008(3) ?) from two different imidazole group which are symmetrically disposed provides the square base and the long carboxylate oxygens (Cu1–O2 = 2.582(3) ?) from the protonated end of symmetrically oriented dibasic acid at the trans axial position. The adipate monoanion is in weak coordination with the metal center via monodentate fashion. The strong carboxylate-carboxylic acid intermolecular O–H…O interaction between the adjacent molecules is present in this structure as observed in the crystal structure of hexanedioic acid is noteworthy. In addition to the O–H…O H-bonding other molecular interactions such as N–H…O and C–H…O in packing generates a 3-D hydrogen bond network. Graphical Abstract  The title compound tetrakis imidazole Cu(II) diadipate is a neutral complex and exist as a monomeric unit with the metal atom occupies at the center of symmetry. Strong inter and intramolecular H-bonding interactions such as O–H…O, N–H…O and C–H…O in packing generates a 3-D hydrogen bond network.     

Crystal Structure and Ferromagnetic Component in Layered Perovskite Sr0.8Y0.2CoO2.65

Crystallography Reports - The crystal structure and magnetic state of Sr0.8Y0.2CoO2.65 layered perovskite have been studied using neutron diffraction and synchrotron radiation diffraction and...     

一维链状铜配合物的合成、晶体结构与磁性研究

用溶液法合成了一维配合物 [Cu(NPG)2(H2O)2]·CH3CH2OH (HNPG=邻苯二甲酰甘氨酸),并对其进行了元素分析,红外光谱,热重分析,磁性和X射线单晶衍射实验.单晶结构分析表明该晶体属于三斜晶系,P-1空间群,晶胞系数a= 0.47674(12) nm,b= 0.11319(3) nm,c = 0.11614(3) nm,α = 106.468(4) °,β= 100.114(5) °,γ= 94.358(5) °,V= 0.5864(3) nm3,Z= 1.配合物是由CuO6八面体通过共顶点连接构成一维链状结构,分子间氢键对分子间的结构稳定起到重要的作用;配合物存在弱的反铁磁性.     

Transmission Electron Microscopical Studies of the Layered Structure of the Ternary Semiconductor CuIn5Se8

The structure of the off‐stoichiometric In‐rich ternary phase CuIn₅Se₈ was studied by means of electron diffraction and high‐resolution electron microscopy. The compound shows a layered structure with a 7‐layer stacking sequence of closed‐packed planes, which contains both cubic and hexagonal stacking of Se atoms. The studied CuIn₅Se₈ bulk crystal is known as the β‐phase of this compound.     

Structure and Ordering Principles of Ultrathin Organic Molecular Films on Surfaces of Layered Semiconductors Organic-on-Inorganic MBE

Epitaxially ordered thin films of large planar organic molecules can be obtained on layered inorganic semiconductors by organic molecular beam deposition in UHV. Analysis by low energy electron diffraction (LEED) and thermal desorption spectroscopy (TDS) yields structural parameters and binding energies. The conditions necessary for order formation are analyzed. Epitaxial data are given for hexabenzocoronene (HBC) and naphthalene-tetracarboxylic-dianhydride (NTCDA) on graphite, MoS₂ and GeS.     

A New Crystal Structure of Clarithromycin

Abstract A new crystal structure of clarithromycin single acetonitrile solvate designated “Form III” was first determined by single crystal X-ray diffraction. The compound crystallized in the monoclinic system, P2 ₁ space group with a = 10.644(2) ?, b = 18.099(4) ?, c = 11.628(2) ?, α = γ = 90°, β = 95.38(3)°, V = 2230.1(8) ?³, Z = 2, D _c = 1.175 g/cm³, μ = 0.087 mm⁻¹, F(000) = 860, R ₁ = 0.034, wR ₂ = 0.062, S = 0.875, (Δ/σ)_max = 0.001 for 2,709 observed reflections (I > 2σ (Ι)). Form III of clarithromycin, contrary to Form I, is more thermodynamically stable than Form II used currently on the market. Graphical abstract A New Crystal Structure of Clarithromycin Jian-Hua Liang, Guo-Wei Yao A crystal structure of clarithromycin single acetonitrile solvate was first determined by single crystal X-ray diffraction.      

Synthesis, Crystal Structure and DNA-Binding Study of a New Copper(II) Complex Containing Mixed-Ligand of Iminodiacetate Dianion and 6-Nitro-1H-benzimidazole

Abstract  A mixed-ligand complex Cu(IDA)(NBZIM)(H₂O) (IDA = iminodiacetate dianion, NBZIM = 6-nitro-1H-benzimidazole) has been synthesized and characterized by elementary analysis, IR, UV-Vis, molar conductivity and single crystal X-ray diffraction. It crystallizes in the triclinic system, space group P with a = 6.9423(14), b = 9.3100(19), c = 11.754(2) ?, α = 69.61(3), β = 85.87(3), γ = 83.87(3)°, Z = 2, R ₁ = 0.0463 and ωR ₂ = 0.0987. The single crystal X-ray analysis reveals that the Cu(II) atom is coordinated by one tridentate iminodiacetate dianion, one monodentate nitrobenzimidazole molecule and one water molecule, in a distorted square base pyramidal coordination geometry. The iminodiacetate dianion chelates the Cu(II) atom in the meridional mode. A three-dimensional network is formed by hydrogen bonds and stabilized by NBZIM π-π stacking interactions. The interaction of the complex with Fish sperm DNA has also been studied using absorption spectra. Index Abstract  In the crystal of Cu(IDA)(NBZIM)(H₂O), each molecule is linked to other six neighbouring ones by ‘eight’ hydrogen bonds in four cases by means of the ‘symmetry related’ linkage.      

Crystal Structure of a Metallohybrid Acid of 1,3,5-Benzenetricarboxylic Acid of Copper(II)

Abstract The crystal structure of a metallohybrid carboxylic acid obtained from the reaction of 1,3,5-benzenetricarboxylic acid (TCAH3) with copper(II)acetate monohydrate in the presence of pyridine (py) having composition Cu(py)₂(TCAH2)₂(H₂O)₂ [1] is reported. It crystallizes in triclinic space group P-1 and with a = 7.0110(3)?, b = 8.9523(5)?, c = 11.5370(5) ?, α = 79.776(3) °, β = 82.881(3)°, γ = 83.628(3)°, and V = 704.18(6)?³. The hydrogen bond in 1 is compared with the hydrogen bond pattern in the structure of 1,3-dicarbomethoxy 4,6-benzenedicarboxylic acid, which crystallizes in mononclinic space group P21/c and has unit cell parameters of a = 6.9549(16)?, b = 8.7676(15)?, c = 20.111(4)?; β = 92.585(17) ° and V = 1225.1(4) ?³. Index Abstract Crystal structure of a metallohybrid carboxylic acid obtained from the reaction of 1,3,5-benzenetricarboxylic acid with copper(II)acetate monohydrate in the presence of pyridine is determined and compared with hydrogen bond pattern present in the structure of 1,3-dicarbomethoxy 4,6-benzenedicarboxylic acid. Crystal structure of a metallohybrid acid of 1,3,5-benzenetricarboxylic acid of copper(II). Kusum Bania, Nilotpal Barooah, Rupam Sarma, Jubaraj B. Baruah     

1,2,3-三唑羧酸铜(Ⅱ)配合物的合成、晶体结构与性质

通过水热的方法制备了两个新的1,2,3-三唑羧酸铜配合物:[Cu(L1)2· 2H2O](1)和[Cu(L2)2]n(2)(HL1=4-苯基-1,2,3-三唑-1-乙酸,HL2=4-苯基-1,2,3-三唑-2-乙酸),并利用红外光谱、质谱(MS)、核磁共振氢谱(1 H NMR)、元素分析、X-射线单晶衍射、X-射线粉末衍射和热重分析进行了表征.晶体结构表明:配合物1中,每一个单核分子通过分子间氢键作用形成二维层状结构.配合物2中,铜原子通过与羧基上的氧原子采用顺-反双齿桥联,形成了二维的网状结构,进一步通过每层网状结构间的π-π堆积作用形成三维超分子结构.磁性测试结果表明配合物2在低温下表现为铁磁性相互作用.     

Crystal Structure Analysis of a New Coumarin Derivative

The title compound (6,6‐dimethyl‐cis‐6H,6aH,7H,12bH,13H‐bis[1]benzopyrano[4,3‐b:4',3'‐d]pyran‐13‐one) crystallizes in monoclinic space group P2₁ /c with Z = 4. The unit cell dimensions are a = 8.6231(2) Å, b =10.0260(2) Å, c = 19.8376(2) Å, and β = 102.1(1)°, V = 1674.51(5) ų , D_cal = 1.326 Mg/m³. The coumarin moiety is in the planar conformation, the dioxadecalin moiety is cis fused and within the dioxadecalin moiety both the rings are in half cahir/sofa conformations. The structure has many C‐H … O type interactions.     

层状二硫化钼纳米材料的研究进展

二硫化钼由于具有合适的层间间距、间隙可调、较高的机械强度、比较稳定的化学性质等,引起了国内外科研人员的高度重视,成为下一代光电子器件的理想材料.它被广泛应用于各种领域,如太阳能电池、光电探测器、场效应晶体管、传感器、存储器等.本文综述了二硫化钼的最新进展,主要包括二硫化钼的晶体结构、能带结构和光学性质,介绍了二硫化钼的制备方法,总结了表征二硫化钼结构的方法,归纳了层状二硫化钼在光电子器件以及微电子器件等领域的制备与应用,最后提出了该研究领域的挑战与机遇.     

Synthesis and Crystal Structure of a New Diphenylglycoluril Derivative

Abstract  

The title compound has been synthesized by alkylation of diphenylglycoluril with o-xylylenedihalides followed by Sonogashira cross-coupling reaction. The yielded product 2 was investigated with X-ray crystallographic, NMR, EI-MS, and IR techniques. The crystal belongs to a triclinic system, space group P-1 with unit cell parameters a = 10.5057(8) ?, b = 12.6915(9) ?, c = 13.3426(10) ?, α = 83.8540(10)^o, β = 87.9360(10)^o, γ = 75.5700(10)^o, V = 1712.9(2) ?³, Z = 2, D _c  = 1.322, M _r  = 681.59, μ = 0.232 mm⁻¹, F(000) = 708, R ₁  = 0.0586 and wR ₂  = 0.1470.     

Synthesis and Crystal Structure of a New Mestranol Acetate

Abstract  

A new mestranol acetate, 17α-ethinyl-17-hydroxy-3-methoxyestra-1,3,5(10)-triene-6-one-17-acetate, was synthesized by an efficient three-step sequence starting from norethindrone. The structure of the new steroid was characterized by ¹H NMR, ¹³C NMR, MS, IR spectrum and X-ray single crystal diffraction. It crystallizes in the triclinic system, space group P1. The molecules are arranged in a head-to-tail fashion without intra- and intermolecular hydrogen bonding.     

Synthesis Crystal Structure and Spectral Properties of New Sulfonamides

Journal of Chemical Crystallography - In this paper, we report new sulfonamide derivatives, 4-((2,4-dichlorophenylsulfonamido)methyl)cyclohexanecarboxylic acid (1), ethyl...