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铜与苯并-1,3-噻唑-2-硫酮配合物的电化学合成与 晶体结构 总被引:3,自引:0,他引:3
在苯并-1,3-噻唑-2-硫酮(Hbztzt,HL)和三苯膦(PPh~3)的乙腈溶液中,用牺牲铜阳极的电化学方法一步合成了Cu(Ⅰ)的相应配合物,电化学效率(E~f)、元素分析和IR光谱表明:产物为同时含有硫醇阴离子(L)和中性硫酮(HL)两种配体及三苯膦的多元混合配体配合物[Cu(L)(HL)(PPh~3)]。配合物在CS~2中重结晶得淡黄色晶体,X射线单晶衍射法测定其结构为[Cu(L)(HL)(PPh~3)~2]·CS~2。晶体属三斜晶系,空间群:P1.a=1.0159(2)nm,b=1.4200(2)nm,c=1.8072(3)nm,α=78.12(1)°,β=86.56(1)°,γ=67.65(1)°,Z=2,V=2.3929(6)nm^3,D~c=1.41g·cm^-^3,R=0.0348,R~w=0.0316。Cu原子以变形四面体与两个PPh~3的两个P原子、被氢键(N-H…N)平均化的硫醇阴离子(L)和中性硫酮分子(HL)上的两个环外S原子配位(两个Cu-S键的键长为0.2372nm和0.2410nm)。 相似文献
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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。 1实验部分 1.1配合物合成 称取氧化镥( Lu2O3)0.1mmol,加入稍过量的 6mol· L- 1 HCl使之溶解,在 80~ 90℃下蒸发至干,加入 5mL水, 5mL乙醇;苯氧乙酸 0.3mmol用 5mL 95%乙醇溶解,以 2… 相似文献
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细胞毒活性二萜Wangzaozin A的晶体结构 总被引:1,自引:0,他引:1
采用单晶X射线衍射技术对对映-贝壳杉烷化合物WangzaozinA的晶体结构进行了研究.研究结果表明,在最小不对称单元中存在两个构象稍有差异(键长和键角不同)的分子,其中两者的3个六元环均为椅式构象,而五元环为扭曲信封式构象.WangzaozinA晶体结构属正交晶系,P212121空间群,晶胞参数a=0.66485(8)nm,b=2.5796(4)nm,c=1.0473(2)nm,Z=4.分子通过分子内氢键O3-H30…O2和O3'-H30'…O2'以及分子间氢键O1-H10…O3,O1'-H10'…O3',O2-H20…O4'和O2'-H20'…O4形成网络结构,并在晶体中沿c轴排列.体外抗肿瘤实验证实,标题化合物具有显著的细胞毒活性,由SRB法测试其抗Bel-7402及HO-8910细胞株的IC50值分别为(5.32±0.79)和(4.10±1.00)μmol/L. 相似文献
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Jiang Xia Wei-Yin Sun Yan Xu Kai-Bei Yu Wen-Xia Tang 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(1):38-39
The title molecule, [Ni(C6H17N3O)2](ClO4)2, possesses a crystallographic centre of symmetry at the NiII position. The coordination geometry around the NiII atom is distorted octahedral, consisting of six N atoms from two tripodal polyamine ligands, while the ethanol O atoms of the ligands remain uncoordinated. The crystal packing shows two-dimensional layers and an infinite three-dimensional framework which is stabilized by a hydrogen-bonded network. 相似文献
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苯并咪唑类化合物一步法合成及表征 总被引:8,自引:0,他引:8
采用对甲氧基苯甲醛、对羟基苯甲醛和邻苯二胺直接关环合成了1-(对甲氧基苄基)-2-(对甲氧基苯基)-苯并咪唑、1-(对羟基苄基)-2-(对羟基苯基)-苯并咪唑化合物.通过元素分析、IR、核磁分析对它们进行了表征,并培养了1-(对甲氧基苄基)-2-(对甲氧基苯基)-苯并咪唑化合物晶体.该晶体经X射线衍射确定为正交晶系,空间群Pna2(1),a=2.0194(7)nm,b=1.5657(4)nm,c=0.5498(1)nm,α=90°,β=90°,γ=90°,V=1.7383(8)nm3,Z=4,Mr=344.40,Dc=1.316g/cm3,μ=0.85 cm-1,F(000)=728. 相似文献
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Yan-Hong?Liu Tong-Lai?ZhangEmail author Jian-Guo?Zhang Jin-Yu?Guo Kai-Bei?Yu 《Structural chemistry》2005,16(5):475-483
2,3,5-trinitro-p-xylene (TPX) is synthesized by nitration of p-xylene in mixed acid of nitric and sulfuric acid. Single crystal of TPX is cultured from DMF solution using a slow cooling method. The compound is characterized by FT-IR, 1H NMR and MS techniques. The crystal structure is determined by X-ray4 single-crystal diffraction analysis. The crystal belongs to the monoclinic system with space group Pn. Its unit cell parameters are as follows: a = 0.8271(2), b = 0.6011(1), c = 1.0487(2) nm, β = 105.42(2)∘, V = 0.50263(2) nm3, Dc = 1.593 g/cm3, Z = 2, F(0 0 0) = 248. The molecular structures of TPX have been calculated at the B3LYP/6-31G** and B3LYP/6-311G** levels of theory, and its frequencies analysis have also been accomplished at the same level of theory. The thermal decomposition process of the compound was studied using DSC and TG-DTG techniques. The predicted nitro group vibrations with B3LYP/6-311G** calculation considerably agree with the observed frequencies. The calculated results propose that the structural parameters from the theory are close to those of the crystal structure from the experiments. 相似文献
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The synthesis of nickel supramolecular compound with hexamethylenetetramine and fumarate ligands is reported. The compound [Ni(H2O)6(fum)]·2(hmt)·4H2O (1) (fum=fumarate; hmt=hexamethylenetetramine) were characterized by elemental analysis, crystal structure, IR. Compound 1 crystallizes in the triclinic system, space group P1, and with Z=1. Cell parameters: a=0. 934 6(1), b=0.933 8(1), c=0.938 8(2) nm, α=79.46(1)°, β=77.84(1)°, γ=61.29 6(7)°. Every metal ion has a octahedral coordination geometry formed by six oxygen atoms from six water molecules, and the relative independent components [Ni(H2O)6]2+, fumarate anions, hmt and H2O molecules are linked together by two kinds of hydrogen bonds (O-H…O, and O-H…N) to form a three-dimensional structure. CCDC: 256355. 相似文献
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A ligand, (N,N'-dibenzylethane-1,2-diamine) (L), and its complex with copper acetate was synthesized and characterized by some spectral analyses. The copper(Ⅱ) ion is six-coordinated and exhibites octahedral coordination geometry, the coordination atoms are four nitrogen atoms from two (L) ligands and two carboxyl oxygen atoms from two acetic acid groups, respectively. After studying the interaction of the complex with calf thymus DNA through UV and fluorescence spectra, we can find that there is a strong binding and a large affinity berween the complex and calf thymus DNA. CCDC: 649416. 相似文献