N-对甲苯磺酰β-丙氨酸稀土(Pr、Yb)一维链配合物的合成、晶体结构及抑菌活性

N-对甲苯磺酰β-丙氨酸稀土(Pr、Yb)一维链配合物的合成、晶体结构及抑菌活性;对甲苯磺酰β-丙氨酸; 稀土配合物; 晶体结构; 抑菌活性     

穴醚晶体结构及其部分镧系元素硝酸盐配合物的荧光性质

穴醚晶体结构及其部分镧系元素硝酸盐配合物的荧光性质;穴醚; 晶体结构; 镧系元素硝酸盐; 配合物; 荧光性能     

Molecular and Crystal Structure of 4-[2-(4-Dimethy aminophenyl)ethenyl]-1-methypyridinium tetraphenylborate

The title compound, C40H39N2B, Mr=558.54, crystallizes in space group P21/c, monoclinic, a=18.013(3), b=10.821(2), c=17.321(3),β=112.20(1)°, V=3125.9(9)3, Z=4, Dc=1.187g/cm3, μ(MoKα)=0.068mm-1, F(000)=1192. The final R and wR(F2) are 0.0467 and 0.0972 for 2353 observed reflections (I>2σ(I)), respectively. In the title molecule, the pyridyl ring of the cation makes dihedral angle of 19.94° with the phenyl ring. The anion takes a slightly distorted tetrahedral geometry. In the crystal, along the screw axis b, the centrosymmetric anion pairs form double chains, which are in turn related by the glide plane c, forming double layers. The centrosymmetric cation pairs are related by screw axis b and located between the double sheets of the anion.     

Molecular and Crystal Structure of 1- ( 2- chloro) - Benzoyl - 3- (4- methylphenyl ) Thiourea

1　INTRODUCTIONBenzoylphenyltioureas having a generalformula( ) were reported to have in secticidalactivity〔1〕,which isclosely related to theirstructures,particularly tothedi hedralangle between the- CONH- plane and phenylring〔2〕.Surprisingly there islittle reported in the literature,only three related structures stored in CSD〔3〕 until1 998.In thispaper,we reportthe crystalstructure ofthe title compound.R CONHCSNHR2　EXPERIMENTAL2 .1　Synthesis　　The synthesisofthetitl…     

3-硝基-1, 2, 4-三唑-5-酮锶配合物的制备、晶体结构和热力学 性质研究

通过3-硝基-1,2,4-三唑-5-酮(NTO)与碳酸锶反应,制备了标题配合物,其结构用单晶分析法测定,所得晶体学参数为:a=1.1034(1)nm,b=2.2742(2)nm,c=0.63398(9)nm,β=101.798(13)ⅲ,V=1.5573(4)nm^3,D~c=1.936g.cm^-^3,Z=2,F(000)=912,μ=35.45cm^-^1;晶体属单斜晶系,空间群为P2~1/c,最终偏离因子R为0.0344。通过标题配合物在水中溶解焓的测定,算得其标准生成焓、晶格焓、晶格能和标准脱水焓。     

[Lu(POA)3(phen)]n的合成及晶体结构

稀土与羧酸多元配合物具有多种形式的分子构型及配体多面体,结构形式多种多样[1].它们在光、电、磁、萃取、分离、杀菌剂等很多方面有广泛的应用前景,一直为国内外学者所关注[2,3].稀土和芳香族羧酸能形成聚合网络及链状结构[4],本文报道了新的链状化合物[Lu(POA)3(phen)]n的合成与结构,对于丰富稀土配合物不失为一项有意义的工作.     

Synthesis and crystal structure of 2-anilino-6<Emphasis Type="Italic">H</Emphasis>-5-(1-phenyl-3-methyl-5-pyrazolone-4-ylene)-1,3,4-thiadiazine

A novel pyrazolone derivative 2-anilino-6H-5-(1-phenyl-3-methyl-5-pyrazolone-4-ylene)-1,3,4-thiadiazine (PMCP-PTSC) containing NNS hexa-atomic heterocycle has been obtained and characterized by means of single crystal X-ray diffraction, IR and ¹H NMR spectroscopies. It is interesting that when grown from two different solvents, two different crystalline structures are formed. The monoclinic crystal A belongs to a P2₁/c space group. The unit cell parameters are a = 16.414(4) Å, b = 12.530(3) Å, c = 8.432(1) Å, = 91.75(2) Å, and Z = 4. The triclinic crystal B belongs to a P space group. The unit cell parameters are a = 11.386(2) Å, b = 12.326(2) Å, c = 12.411(3) Å, = 83.07(1)°, = 87.76(2)°, = 86.52(2)°, and Z = 4. The structure analyses show the title compound is the keto-form. Dimers in crystal packing of A and supramolecular one-dimensional (B) concatenate structures were assembled by the intermolecular hydrogen bonds.     

Synthesis and crystal structure of [Co(phen)(H2O)4](SO4)⋅2(H2O)

The title complex, [Co(phen)(H₂O)₄](SO₄)2(H₂O) (phen = 1,10-phenanthroline) was prepared in aqua tert-butylperoxohydrogen solution. X-ray single crystal structure determination reveals that the complex consists of a phenanthrolinatocobalt(II)tetrahydrate dication, two uncoordinated water molecules and a sulfate anion. It crystallizes in the orthorhombic space group Pbca with a = 8.856(1), b = 18.318(3), c =21.918(5) Å, V = 3555.6(11) ų. The coordination geometry at each cobalt(II) atom is a slightly distorted octahedron.     

Synthesis and crystal structure of 4,4′-bis(4-pyridylethyl)biphenyl, noncovalently hydrogen bonded two-dimensional networks

A new pyridine containing compound, 4,4-bis(4-pyridylethyl)biphenyl 1, was synthesized and its structure was determined by X-ray crystallography. Two kinds of two-dimensional networks linked by hydrogen bonds were obtained with different crystal solvents: 1·2H₂O, monoclinic, space group P2₁/n with a = 8.3280(10), b = 5.5990(10), c = 24.054(4) Å, = 98.79(2)°, V = 1108.4(3) ų, Z = 2, Dc = 1.200 g cm^–3, R1 = 0.0558; 1·CH₃OH·2H₂O, triclinic, space group P-1 with a = 8.3310(10), b = 12.861(2), c = 13.111(2) Å, = 64.110(10), = 75.000(10), = 83.750(10)°, V = 1220.7(3) ų, Z = 2, Dc = 1.177 g cm^–3, R1 = 0.0529. It is interesting that in the hydrate the host molecule of 1 contains an essentially flat biphenyl section, while in the methanol complex the host molecule of 1 contains a substantial twist in the center of the biphenyl section. The compounds were also characterized by NMR and FTIR spectroscopies. The ¹H and ¹³C NMR assignments for 1 were carried out by 2D NMR spectral measurements in acetonitrile-d ₃.     

Preparation,Crystal Structure,Thermal Decomposition and Explosive Properties of K2（tza）2（H2O） （tza=Tetrazole-1-acetic Acid）

A new energetic compound based on the tetrazole-1-acetic acid (tza) and potassium(I) salt, K2(tza)2(H2O), was synthesized and characterized by elemental analysis and FT-IR spectrum. Its crystal structure was determined by single-crystal X-ray diffraction analysis. The results show that the crystal belongs to the orthorhombic system, space group Pna21 with a = 1.11972(17) nm, b = 0.46647(7) nm, c = 2.5158(4) nm, V = 1.3140(3) nm3, K2C6H8N8O5, Mr = 350.40 g·mol-1, Dc = 1.771 g·cm-3, μ(MoKα) = 0.759 mm-1, F(000) = 712, Z = 4, R = 0.023 and wR = 0.0527 for 2961 observed reflections (I > 2σ(I)). The K(I) cation is six-coordinated with four O atoms from three carboxylate groups, one O atom from one H2O molecule and one N atom from tetrazolyl ring, in which each tza is coordinated in a tridentate chelating bridging coordination mode. The thermal decomposition mechanism of the title complex was studied by DSC and TG-DTG techniques. Under nitrogen atmosphere at a heating rate of 10 K·min-1, the thermal decomposition of the complex contains one main exothermic process between 191.7 and 243.8 ℃ in the DSC curve. Its combustion heat was mensurated by oxygen bomb calorimetry. The non-isothermal kinetics parameters were calculated by the Kissinger's method and Ozawa-Doyle's method, respectively. The sensitivity properties of K2(tza)2(H2O) were also determined with standard methods, which was very sensitive to flame.