排序方式: 共有121条查询结果,搜索用时 31 毫秒
61.
配合物Ni(DPBP-SAH)2·2CH3CH2OH的合成和晶体结构 总被引:2,自引:0,他引:2
A nickel(Ⅱ) complex Ni(DPBP-SAH)2·2CH3CH2OH, (DPBP-SAH=N-(1,3-diphenyl-4-benzylidene-5-pyrazolone)-salicylidene hydrazone), has been synthesized and characterized by elemental analyses, IR spectra and single crystal X-ray diffraction. It belongs to monoclinic, space group C2/c with a=2.737 9(4) nm, b=1.249 2(2) nm, c=1.760 8(2) nm, β=120.212(9)°, Mr=1 065.84, V=5.204(1) nm3, Z=4. The X-ray diffraction reveals that the nickel(Ⅱ) ion in the title complex is in a slightly distorted octahedral arrangement of the ON donor atoms of two DPBP-SAH and two O-donor atoms in ethanol. CCDC: 249394. 相似文献
62.
Copper(Ⅱ) complexes Cu(C6H6N2)2(ClO4)2 (1) and Cu2(OAc)4(C5H5ClN2)2 (2) with amino-pyridine deriva-tives ligands have been synthesized and characterized by elemental analysis and IR spectrum. Their crystal struc-tures are determined by X-ray diffraction method. Compound 1, C12H16C12CuN4O8, Mr=478.73, triclinic, space group , a=0.7641(1)nm, b=0.7987(1)nm, c=0.7990(1)nm, α=106.78(1)°,β=95.71(1)°, γ=108.85(1)°, V=0.4317(1)nm3, Z=1, Dc=1.841g·cm-3, μ=1.627mm-1, F(000) =243,R1=0.0264, ωR2=0.0641 (I>2σ(I)). In 1, the center metal ion Cu(Ⅱ) possesses distorted octahedral geometry. Compound 2, C18H22C12Cu2N4O8, Mr=620.38,monoclinic, space group C2/c, a=1.9888(3), b=0.9158(1), c=1.4241(2)nm, β=115.89(1)°, V=2.3336(5)nm3, Z=4, Dc=1.766mg·cm-3, μ=2.104mm-1, F(000)=1256, R1=0.0263, wR2=0.0676 (I>2σ(I)). Compound 2 is dinuclear structure, in which each Cu(Ⅱ) adopts five-coordinated distorted square pyramid geometry. CCDC: 193109; 193110. 相似文献
63.
Jun-Wei Liu Jian-Guo Zhang Tong-Lai Zhang Hong Zheng Li Yang Kai-Bei Yu 《Structural chemistry》2009,20(3):387-392
A new hetero-bimetallic coordination polymer, cesium, and sodium complex of styphnate trihydrate [CsNa(TNR)(H2O)3]
n
(TNR: 2,4,6-trinitroresorcinol dianion, the dianion of styphnic acid) was synthesized. The title complex was characterized
by X-ray single crystal diffraction, element analysis, FT-IR, DSC, TG-DTG studies. In the title polymer molecule, the cesium
cation is coordinated by 13 oxygen atoms: three originated from the water molecule and the others are from the nitro group
and the phenolic hydroxyl group of TNR; the sodium cation is surrounded by six oxygen atoms from water molecules and TNR forming
a distorted octahedron. The coordination polymer crystal was formed by the bridging ligands of water molecules and TNR connected
with different cesium and sodium cations. 相似文献
64.
利用1-苯基-3-甲基/苯基-4-氯乙酰基-吡唑啉酮-5(PMCP/DPCP)与4-乙基氨基硫脲(ETSC)发生缩合反应,生成了2个新的双杂环化合物2-乙氨基-6H-5-(1-苯基-3-甲基/苯基-5-吡唑啉酮-4-基)-1,3,4-噻二嗪(PMCP-ETSC/DPCP-ETSC),并对其进行元素分析、红外光谱、核磁共振表征和晶体结构分析.PMCP-ETSC晶体属于单斜晶系,Pm空间群,晶胞参数:a=0.7947(1)nm,b=0.8348(1)nm,c=1.1990(2)nm,β=106.07(1)°,V=0.77269(2)nm3,Z=2,Dc=1.356g/cm3,μ=0.219mm-1,F(000)=332,R=0.0298,wR=0.0704.该化合物通过分子间氢键形成沿c轴无限延伸的一维链状结构.DPCP-ETSC晶体属于正交晶系,Pna21空间群,晶胞参数:a=1.1478(2)nm,b=1.3545(2)nm,c=1.1994(2)nm,V=1.8646(4)nm3,Z=4,Dc=1.345g/cm3,μ=0.194mm-1,F(000)=792,R=0.0345,wR=0.0694,此化合物通过分子间氢键形成沿c轴成链状,沿ab平面成波浪状的超分子结构. 相似文献
65.
4,4′-联吡啶锌(Ⅱ)配合物的合成及其晶体结构 总被引:5,自引:0,他引:5
苦味酸锌与4,4'-联吡啶反应,得到一种新型配合物[Zn(4,4′-bpy)2(H2O)2](pic)2@2H2O(4,4′-bpy4,4′-联吡啶,pic-苦昧酸根),并用元素分析、红外光谱等进行表征.X-射线单晶衍射结果表明,晶体属单斜晶系,空问群Cc,晶胞参数a=1.4390(2),b=1.1418(1),c=2.2908(3)nm,β=95.08(1)°,V=3.749(1)nm3,Z=4该配合物由4,4′-联吡啶与金属配位形成多孔的二维网,二维网再由未配位的水分子及苦味酸根离子通过氢键作用沿a轴方向堆积得三维网状结构,且未配位的水分子、苦味酸根离子被包合在网络之中,展示出一定的包合现象. 相似文献
66.
Carboxylic acids are important in crystal engineering because they can form strong and directional O-H…O hydrogen bonds as dimmer and catmer.[1] The dicarboxylic acids (not containing other hydrogen bonding groups) generally form the extended line structure interlinked through dimmer,[2] except that oxalic acid forms both the β-oxalic acid linked by dimmer (finite synthon) and the a-oxalic acid by catmer[3] (infinite synthon). A new molecular packing structure of cis-1,3-cyclohexanedicarboxylic acid (CHDA), which is different from line structure,[4] was gotten (P1/2, Figure 1). The novel structure has dimmer and catmer hydrogen bond pairs in the crystal and the hydrogen bond length of O-H…O is 0.268 nm in catmer and 0.264 nm in dimmer. The bond angles of O=C-O vary from 123.1° to 123.8° in catmer and from 123.1° to 122.0° in dimmer comparing with the ones in line structure. 相似文献
67.
NTRODUCTIONItisknownthatdialkylsulfidesareefectiveextractantsfortheextractionandseparationofnoblemetals〔1,2〕.Paladiumcomplex... 相似文献
68.
Yan-Hong Liu Tong-Lai Zhang Jian-Guo Zhang Li Yang Wen-Guang Yu Rui-Feng Wu Kai-Bei Yu 《Structural chemistry》2006,17(4):351-357
We reported in this study the synthesis, culture of crystal, and single-crystal X-ray crystallography of the 2,4,6-trinitro-trimethylbenzene (TNTM) compound. We found the crystal belongs to the Triclinic system with space group P-1. The compound was also characterized by FT-IR,1H NMR, and MS spectroscopy techniques. Density functional theory (DFT) B3LYP was employed to optimize structure and calculate frequencies of TNTM. The calculated geometrical parameters are close to the corresponding experimental ones. The thermal decomposition of TNTM was investigated by DSC and TG–DTG methods at heating rate 10°C/min. The results indicate that TNTM has high heat-resistant ability.1
相似文献
相似文献
69.
1INTRODUCnONThesubjectofNLoisanactivefieldofstudyatpresent.AsSHGcrystalmate-rial,itisimperativethatthenonlinearmoleculesresideinanoncentrosymmetricenvi-ronmentifthemolecularhyperpolarizability(g)istoleadtoanobservab1ebulkeffecttX"'j.Marderandhisco-workerpresentevidencethatvariationofcounterionsinorganicsaltsisasimpleandhighlysuccessfulapproachtocreatingmaterialswithverylargeX">"'2)(organicSaltsMethodology).MeredithevensuggestedthatCoulombicinteractionsinorganicsaltscouldoverridedipolar… 相似文献
70.
Rui-Xiang Hu Ling Huang Hong Liang Kai-Bei Yu 《Journal of chemical crystallography》2007,37(8):523-526
The crystal structure of the compound (C5H7N2O)·(C6H4NO3)·H2O (1) consisting of 2-amino-3-hydroxypyridium, isoniconate-N-oxide and lattice water was characterized by single-crystal X-ray diffraction analysis: monoclinic, P21/c, a = 9.6905(8), b = 6.0040(4), c = 21.039(2) Å, β = 101.062(8)°, V = 1201.34(18) Å3, Z = 4. In 1, the deprotonated isoniconate-N-oxide, the protonated 2-amino-3-hydroxypyridium and the lattice water are linked by a series of classical hydrogen bonds to form 2-D layer. Then, these 2-D sheets assemble to a 3-D network via weak hydrogen bonds. 相似文献