Synthesis and Crystal Structure of 1-(4-Fluorophenyl)-2-hexylthiobenzo[4,5]-furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5(1H)-one

The crystal structure of the title compound 1-（4-fluorophenyl） -2-hexylthio-benzo [4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a]pyrimidin-5（1H） -one（C23H21FN4O2S,Mr = 436.5） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic,space group P21/n with a = 13.9854（3） ,b = 17.2678（4） ,c = 18.1828（5）A,β = 99.364（2） °,V = 4332.58（18） A^3,Z = 4,Dc = 1.338,F（000） =1824,μ = 0.185 mm^-1,MoKa radiation（λ = 0.71073） ,R = 0.0538 and wR = 0.1162 for 4728 observed reflections with I 〉 2σ（I） . X-ray diffraction analysis reveals the fused rings of benzo[4,5]furo[3,2-d]-1,2,4-triazolo[1,5-a] pyrimidin-5（1H） -one system are nearly coplanar. The crystal packing is mainly stabilized by weak intermolecular C-H···O hydrogen bond and π-π interactions.

Synthesis and Crystal Structure of 2-Ethoxy-3-n-butyl-benzofuro [2,3-d]pyrimidin-4(3H)-one

The crystal structure of the new title compound 2-ethoxy-3-n-butyl- benzofuro[2,3d]pyrimidin-4（3H）-one （C16H18N2O3, Mr = 286.32） has been prepared and determined by singlecrystal X-ray diffraction. The crystal is of monoclinic, space group P21/c with a = 13.7167（14）, b = 13.113（1）, c = 8.378（1） A, β = 98.992（2）^o, V = 1488.4（3） A^3, Z = 4, Dc = 1.278, F（000） = 608, μ = 0.089 mm^-1, MoKa radiation （2 = 0.71073）, R = 0.0498, wR = 0.1238 for 2336 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals that all ring atoms in the benzo[4, 5]furo [2,3-d] pyrimi- dinone moieties are almost coplanar.

2-D crustal structure of Changbaishan-Tianchi volcanic region determined by seismic traveltime inversion

2-D velocity structure and tectonics of the crust and upper mantle is revealed by inversion of seismic refraction and wide-angle reflection traveltimes acquired along the profile L1 in the Changbaishan-Tianchi volcanic region. It is used in this study that seismic traveltime inversion for simultaneous determination of 2-D velocity and interface structure of the crust and upper mantle. The result shows that, under Changbaishan-Tianchi crater, there exists a low-velocity body in the shape of an inverted triangle, and the crustal reflecting boundaries and Moho all become lower by a varying margin of 2-6 km, forming a crustal root which is assumed to be the Changbaishan-Tianchi volcanic system. Finally, we make a comparison between our 2-D velocity model and the result from the studies by using trial-and-error forward modeling with SEIS83.

Synthesis and Crystal Structure of a Cu(Ⅱ) Complex with Reduced Schiff-base N-(2-Hydroxybenzyl)-D,L-alanine and 4,4'-Bipyridine

A new complex [Cu2（sala）2（H20）2（4,4＇-bipy）]＇H20 （sala = N-（2-hydroxybenzyl）- D,L-alaninate, 4,4＇-bipy = 4,4＇-bipyridine） has been synthesized and characterized by elemental analysis, IR spectroscopy, thermogravimetric analysis and single-crystal X-ray diffraction. The complex crystallizes in monoclinic system, space group C2/c with a = 42.44（3）, b = 10.416（8）, c = 15.487（13） ./k, fl = 97.455（14）°, C30H36Cu2N4O9, Mr = 723.71, V = 6789（9） A3, Dc = 1.416 g/cm3, Z = 8, F（000） = 2992, μ（MoKa） = 1.308 mm-1, R = 0.0493 and wR = 0.1004 for 4878 observed reflections （I 〉 2σ（I））. Structural analysis shows that each copper（II） atom displays a distorted square-based pyramidal coordination geometry with two oxygen atoms and one nitrogen atom from one N-（2-hydroxybenzyl）-D,L-alaninate, one nitrogen atom from 4,4＇-bipyridine ligand and one water molecule. 4,4＇-Bipyridine ligand bridges two Cu（II） ions to form a dinuclear compound. The molecular structure is extended into a one-dimensional wavy chain through hydrogen bonds. These 1D chains are further expanded into 2D networks through hydrogen bonds.

Synthesis and Crystal Structure of Ethyl 3-(4-Chlorophenyl)-3,4-dihydro-6-methyl-4-oxo-2-(pyrrolidin-1-yl)furo[2,3-d]pyrimidine-5-carboxylate

The crystal structure of the title compound ethyl 3-（4-chlorophenyl）-3,4-dihydro-6- methyl-4-oxo-2-（pyrrolidin-1-yl）furo[2,3-d]pyrimidine-5-carboxylate （C20H20ClN3O4, Mr= 401.84） has been prepared and determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 20.6215（9）, b = 8.5311（4）, c = 21.6886（9） A^°, β = 91.607（1）°, V = 3814.0（3）A^°^3, Z = 8, Dc = 1.400 g/cm^3, F（000） = 1680, μ = 0.233 mm^-1, R = 0.0718 and wR = 0.1545 for 6717 observed reflections with I 〉 2σ（I）. X-ray diffraction analysis reveals two crystallographically independent molecules in the asymmetric unit.

Synthesis and Crystal Structure of 2-(3,3'-Bithiophen-2,2'-yl)dibenzothiazole (BTDB) and 2-(Dithieno[2,3-b:3',2' -d]thiophen-2,5-yl)dibenzothiazole (DTTDB)

The title compounds, 2-（3,3＇-bithiophen-2,2＇-yl）dibenzothiazole （BTDB） and 2-（dithieno[2,3-b：3＇,2＇-d]thiophen-2,5-yl）dibenzothiazole （DTTDB）, have been synthesized and characterized by FT-IR, NMR, MS, HRMS and X-ray single-crystal diffraction. The crystal of BTDB crystallizes in triclinic, space group P1 with a = 9.2207（17）, b = 10.453（2）, c = 10.969（2） A, V= 981.2（3） A3 and Z = 2. Crystal data of DTTDB： orthorhombic system, space group Pbcn with a = 4.5290（8）, b = 13.576（3）, c = 32.033（6） A, V= 1969.6（6） A3 and Z = 4.

Synthesis and Crystal Structure of 2-(4’-Methylphenoxy)-5,8,9-trimethyl-3-phenyl Thieno[3′,2′:5,6]pyrido[4,3-d]pyrimidin-4-(3H)-one Hydrochloride

The title compound 2-（4＇-methylphenoxy）-5,8,9-trimethyl-3-phenyl thieno[3＇,2＇：5,6] pyrido[4,3-d]pyrimidin-4（3H）-one hydrochloride （C26H23Cl4N3O2S, Mr = 583.33） has been determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group P21/c with a = 14.8442（ 11 ）, b = 11.5131 （8）, c = 17.2010（13） A, β = 113.7250（10）°, V = 2691.3（3） ,A^3, Z = 4, Dc = 1.440 g/cm^3, S = 1.094,μ = 0.547 mm^-1, F（000） = 1200, the final R = 0.0571 and wR = 0.1458. X-ray analysis reveals that the title compound combines with a molecule of dichloromethane by an intramolecular hydrogen bond. The thienopyridine ring is almost coplanar, and the dihedral angle between the thiophene plane and the pyridine plane is 0.6°.

Hydrothermal Synthesis,Crystal Structure and Luminescent Properties of an Organically Templated 2-D Uranyl Sulfate

An organically templated 2-D uranyl sulfate, {（C2H8N）[（UO2）Cl（SO4）（H2O）] }n 1, has been hydrothermally synthesized. The crystal and molecular structures have been determined by X-ray crystallography method and spectral techniques. 1 belongs to monoclinic, space group P21/c with a = 8.3545（17）, b = 10.550（2）, c = 12.370（3）A, β = 102.64（3）°, V = 1063.9（4）A3, Mr = 464.64, De= 2.901 g/cm^3, F（000） = 836,μ = 15.710 mm^-1, Z= 4, the final R = 0.0286 and wR = 0.0685 for 10164 observed reflections with Ⅰ 〉 2σ（Ⅰ）. 1 presents a two-dimensional layer-like structure constructed from infinite anionic [（UO2）Cl（H2O）（SO4）]^- layers with [C2H8N]^＋ cations balancing the charge and a number of intermoleeular hydrogen bonds （C-H…O and O-H…Cl） existing in the solid state. The fluorescence properties of 1 have also been discussed.

A Zinc TTR Complex with a Novel 2-D Structure (TTR=3-Amino-1H-1,2,4-triazole)

The solvothermal reaction of 3-amino-1H-1,2,4-triazole （ttr） with Zn（ClO4）2·6H2O and NaCl in a 1：1：1 molar ratio gave a new complex [Zn（ttr）Cl]n with a 3-connected （4.82） 2-D structure. The layers stack in the -ABAB- way along the c axis with abundant hydrogen bonding interactions to form the crystal structure. The complex [Zn（ttr）Cl]n crystallizes in the orthorhombic space group Pbca with a = 9.369（1）, b = 10.049（1）, c = 11.905（1）A, V = 1120.9（3）A^3, Z = 8.00, C2N4H3ZnCl, Mr = 183.90, Dc = 2.180 g/cm^3,μ = 4.740 mm^-1, F（000） = 720, S = 1.059 and T = 293（2） K. The final R = 0.0662 and wR = 0.2457 for 956 observed reflections with Ⅰ〉 2σ（Ⅰ）, and R = 0.0689 and wR = 0.2504 for all data.

Synthesis and Crystal Structure of 7-Amino-2,3,4,5-tetrahydro-1,3-dimethyl-5-(2-nitrophenyl)-2,4-dioxo-1H-pyrano[2,3-d]pyrimidine-6-carbonitrile DMF Solvate

The title compound 7-amino-2,3,4,5-tetrahydro-1,3-dimethyl-5-（2-nitrophenyl）- 2,4- dioxo-1H-pyrano[2,3-d] pyrirnidine-6-carbonitrile DMF solvate 1 （C19H20N6O6, Mr = 428.41） was synthesized and crystallized. The crystal belongs to the monoclinic system, space group P2 1/c with a = 11.383（2）, b = 13.372（2）, c = 13.673（2）A, β = 97.380（4）°, Z = 4, V = 2063.8（6）A^3, Dc = 1.379 g/cm^3,μ（MoKα） = 0.105 mm^-1, F（000） = 896, the final R = 0.0738 and wR = 0.1647 for 2964 observed reflections （I〉 2σ（I））. X-ray analysis reveals that the new pyran ring is coplanar, which is obviously different from those of other similar compounds. In addition, the unclassical hydrogen bonds of C-H…O and C-H…N are presented in the crystals except for the normal hydrogen bonds of N-H…O.

Efficient Synthesis,Crystal Structure and Antibacterial Activity of Two Novel Thieno[2,3-d]pyrimidin-4(3H)-one Derivatives

Two new thieno[2,3-d]pyrimidin-4（3H）-one derivatives,C24H22 Cl N3O2S（5a） and C25H25N3O2S（5b）,have been synthesized via a tandem aza-Wittig reaction.This tandem reaction has many attractive aspects such as easily accessible and versatile starting materials,mild conditions and high yields.Both compounds have been characterized by elemental analysis,HR-MS,IR,NMR spectra and X-ray single-crystal diffraction.Compound 5a crystallizes in monoclinic,space group P21/c with a = 9.986（3）,b = 14.263（4）,c = 15.530（5）A,β = 93.806（5）o,V = 2207.1（11） A^3,Mr = 451.96,Z = 4,Dc = 1.360 g/cm3,F（000） = 944,μ = 0.294 mm-1,Mo Kα radiation（λ = 0.71073 A）,the final R = 0.0444 and w R = 0.1219 for 3407 observed reflections with I 〉 2σ（I）.Compound 5bcrystallizes in triclinic,space group P1 with a = 8.974（4）,b = 10.766（5）,c = 12.260（6） A,β = 93.047（7）o,V = 1122.1（9） A^3,Mr = 431.54,Z = 2,Dc = 1.277 g/cm3,F（000） = 456,μ = 0.170 mm-1,Mo Kα radiation（λ = 0.71073 A）,the final R = 0.0378 and w R = 0.1072 for 3806 observed reflections with I 〉 2σ（I）.The preliminary antibacterial activities of 5a and 5b were investigated.Compound 5a showed 71.3% and 79.2% in vitro inhibition against Fusarium oxysporium and Rhizoctonia solani,respectively.Compound 5b showed 75.3% in vitro inhibition against Rhizoctonia solani.

Synthesis and Crystal Structure of a Novel Two-dimensional Layered Polymer [Zn(μ-O_2CCH=CHCO_2)(C_3H_4N_2)(H_2O)]_n

The title complex [Zn(-O2CCH=CHCO2)(C3H4N2)(H2O)]n was prepared by the reaction of zinc carbonate with maleic acid and imidazole in an aqueous-alcohol solution at 333 K, and its crystal structure has been solved by single-crystal X-ray diffraction. The complex crystallizes in the monoclinic system, space group Pc with a = 5.3858(7), b = 22.685(3), c = 7.6782(1) ? = 92.261(2)o, V = 937.4(2) 3, Z = 1, C14H16N4O10Zn2, Mr = 531.05, Dc = 1.882 g/cm3, = 2.623 mm1, F(000) = 532, the final R = 0.0372 and wR = 0.0930 for 1926 observed reflections with I>2s(I). The central zinc atom is five-coordinated in a distorted square pyramidal environment to three oxygen atoms of two different maleate ligands, a nitrogen atom of the imi- dazole ligand and an oxygen atom of water. In the complex two carboxylate groups of the maleate ligands have two coordination modes. One acts as a bidentate chelate ligand and the other a monoatomic monodentate ligand to bridge two zinc centers. As a result, 1-D infinite polymeric chains are formed, which are linked together by pairs of OH…O hydrogen bonds between the coordination water OH groups and carboxylate oxygen atoms to construct a 2-D layered polymer, and the layer structure is stabilized by p-p stacking of the imidozel ligands.

Synthesis and Crystal Structure of 2-Benzylamino-6-methyl-3-cyano-8- phenyl-5H-bispyrazolo[3,4-d,3',2'-b]pyrimidine

The title compound 2-benzylamino-6-methyl-3-cyano-8-phenyl-5H-bispyrazolo[3,4-d,3＇,2＇-b]pyrimidine crystallizes in orthorhombic, space group Pbca with a = 17.945（7）, b =10.862（4）, c = 19.481（7） A°, β = 90°, Z = 8, V = 1151.8（4） A°^3, Mr = 379.43, Dx = 1.327 g/cm^3,μ（MoKa） = 0.084 mm^-1, F（000） = 1584, the final R = 0.0513 and wR = 0.1128 for 2608 observed reflections （I 〉 2σ（I））. X-ray analysis reveals that the tricyclic portion of the molecule is effectively planar. In addition, there exist three intermolecular hydrogen bonds.

Synthesis,Crystal Structure and Anti-tumor Activity of 2-(2-Chloro-4-nitrophenyl)-4-(4-chlorophenyl)-3a,4-diethoxy-2,3,3a,4-tetrahydrochromeno[3,4-d][1,2,3]diazaphosphole

The title compound 2-（2-chloro-4-nitrophenyl）-4-（4-chlorophenyl）-3a,4- diethoxy- 2,3,3a, 4-tetrahydrochromeno[3,4-d][1,2,3]diazaphosphole 2 （C29H30Cl2N3O7P, Mr = 633.44） was synthesized and its structure was characterized by IR, MS, ^1H NMR, ^13C NMR, ^31p NMR, elemental analysis and single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1^-, a = 9.1549（3）, b = 10.7168（4）, c = 17.6272（6）A, α = 102.9363（12）, β = 90.2713（9）, γ = 117.4265（10）°, V= 1484.41（9）A^3, Z= 2,μ（MoKa） = 0.323, F（000） = 658, Z= 2, De= 1.417 g/cm^3, the final R = 0.0687 and wR = 0.2066 for 4943 observed reflections （I 〉 2σ（I））. X-ray analysis reveals that the diazaphospholine ring is almost planar and the two ethoxy groups bonded on the 3a- and 4-positions are in trans configurations. Its antiproliferative activity was also tested in vitro against four human tumor cell lines.

Two-Dimensional Riemann Problems:Transonic Shock Waves and Free Boundary Problems

We are concerned with global solutions of multidimensional(M-D)Riemann problems for nonlinear hyperbolic systems of conservation laws,focusing on their global configurations and structures.We present some recent developments in the rigorous analysis of two-dimensional(2-D)Riemann problems involving transonic shock waves through several prototypes of hyperbolic systems of conservation laws and discuss some further M-D Riemann problems and related problems for nonlinear partial differential equations.In particular,we present four different 2-D Riemann problems through these prototypes of hyperbolic systems and show how these Riemann problems can be reformulated/solved as free boundary problems with transonic shock waves as free boundaries for the corresponding nonlinear conservation laws of mixed elliptic-hyperbolic type and related nonlinear partial differential equations.

Compressive Behavior of Wood-based 2-D Lattice Structure under Multivariable Analysis

In order to optimize the out-of-plane compression performance of the wood structure,wood-based 2-D lattice structures were designed and manufactured with oriented strand board as the panel and birch round stick as the core by using a simple insert-glue method.In this experiment,the different thicknesses of the upper and lower panels,the different shavings arrangement directions of the upper and lower panels and the different configurations of the specimens were used to analyze the compression performance of the specimens under multivariable conditions.Through the combination of experimental test and theoretical analysis,we analyzed and compared different failure types of the structure and multiple compression parameters.The results showed that the shavings arrangement direction of the panel has a more important influence on the whole specimen than the thickness of the panel,especially the transverse shavings of the panel can withstand greater shear stress than the longitudinal shavings for a specimen.

排桩支护结构反力计算方法

排桩支护结构的计算方法很多,一般有等值梁法、二分之一分担法、逐层开挖支撑(锚杆)支承力不变法、弹性法、有限元计算法等。主要介绍前三种计算方法的原理及步骤。为了对比三种方法计算结果之间的差异,以及与实际施工情况相符的程度,结合昆明市某城中村改造项目的具体工程实例,按照规范要求,给出了三种方法的具体计算过程和结果,分析了不同方法计算的反力大小差异很大的原因,对比得出逐层开挖锚杆支承力不变计算法,符合实际施工情况,是比较合适的计算方法。

对桩承结构上下部水平抗震理解的联合预估

结合平面动力有限元与简化三维集中质量法(S-R模型)对水平地震作用下的群桩-土-结构体系的动力性能进行了理论预测,可用来计算不同构型、桩数、土层属性下的结构系统动力反应。算例分析表明,由于土与基础的参与,考虑相互作用后结构位移及层间位移反应增大;受结构、桩基础及土层属性等多因素影响,结构内力在某些地震频谱作用下反而会有所增加,而固基情形下的加速度反应谱曲线对相互作用的反应结果并不一定形成包络,两种方法在对相互作用结构进行动力反应的量化数值分析和定性评价上均有良好的一致性。

斜桩在大型皮带机工程中的应用设计

近年来,大型皮带机在港口、散货运输中的广泛应用为结构设计提出了新问题,皮带机的运行,尤其是启动和制动导致皮带机基础承担较大的水平荷载。若采用传统结构中的垂直基桩抵抗水平荷载,需要基桩的数量较多,不经济。通过在设计中应用二维桩结构线性弹性地基反力法的计算理论,为斜桩承担皮带机的水平力提供理论计算支持,实现了设计应用技术上的创新。采用斜桩和直桩相结合的设计方案较好地解决了问题,并且可以缩短施工工期、节约工程造价。

A Convenient Synthesis of 2-Arylnaphtho[1,2-d]oxazole Derivatives Promoted by Triethylamine

A variety of 2-arylnaphtho[ 1,2-d]oxazole derivatives were efficiently synthesized in moderate to high yields by the reaction of aromatic aldehydes with 1-amino-2-naphthol derivatives in the presence of triethylamine in refluxing ethanol in air. Seven new 2-arylnaphtho[1,2-d]oxazole derivatives were obtained and characterized by the spectral data and elemental analysis. In addition, the X-ray crystal structures of 2-[4-（N,N-dimethylamino）phenyl]naphtho[ 1,2-d] oxzole （3d） and 1, 1＇-bis（naphtho[ 1,2-d]oxazol-2-yl）ferrocene （3n） have been determined.