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1.
A new coordination compound, [(CuI)(Btd)]n(1, Btd=2,1,3-benzothiadiazole), was obtained at room temperature by the reaction of 2,1,3-benzothiadiazole with CuI and KI saturated aqueous solution. It was characterized by elemental analysis, IR spectroscopy, single-crystal X-ray diffraction analysis and photoluminescence. The complex crystallizes in the triclinic Pī space group, with a=4.1620(6), b=10.4590(15), c=10.5052(15), α=69.310(2), β=83.608(2), γ=78.873(2)o, V=419.30(10)3 , Z=2, C6H4N2SCuI, Mr=326.61, Dc=2.587 g/cm3 , F(000)=304 and μ(MoKα)=6.464 mm-1 . The final R=0.0418 and wR=0.0936 for 1451 observed reflections with I>2σ(I) and R=0.0422 and wR=0.0939 for all data. In the complex, the Cu atoms are coordinated by one nitrogen atom and three iodine atoms to form a double-stranded stair, and such stairs are further linked to build a 2D framework via C-H…I interactions.  相似文献   

2.
YUAN Li  LU Wen-Guan 《结构化学》2011,30(8):1207-1213
A new 3D metal-organic framework of {[Co3(IDC)2(bipy)2(py)2]·7H2O}n (1) was obtained by the hydrothermal reaction of Co(NO3)2·6H2O, imidazole-4,5-dicarboxylic acid (H3IDC), 4,4'-bipyridine (bipy), and pyridine (py), and structurally characterized by elemental analysis, infrared spectroscopy, thermal gravimetric analysis, and single-crystal X-ray diffraction. X-ray diffraction crystal structural analysis reveals that it crystallizes in orthorhombic system, space group Pccn with a = 11.1040(3), b = 19.8834(5), c = 21.3025(5), V = 4703.3(2)3, Mr = 1079.63, Z = 4, Dc = 1.525 Mg·m-3, F(000) = 2212, μ(CuKα) = 8.855 mm-1, the final R = 0.0331 and wR = 0.0713 for 2525 observed reflections with I ≥ 2σ(I). In compound 1, each cobalt(II) ion is six-coordinated with a slightly distorted octahedral coordination geometry, and each μ3-IDC3- acts as a bridge to bond three neighboring Co(II) ions, leading to an infinite 2D network layer structure of [Co3(IDC)2]n with Kagomé lattice. The adjacent layers are further linked by μ2-bipy to form an infinite 3D layered-pillared framework architecture of [Co3(IDC)2(bipy)2(py)2]n.  相似文献   

3.
Two Schiff base complexes [Cu(L)2] (1) and [Zn(L)2]·3H2O(2) of (E)-4-fluoro-2-((3-morpholino propylimino)methyl)phenol (HL) have been synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. Crystal data for 1: triclinic, space group Pī with a=4.8000(10), b=11.109(2), c=13.921(3),α=66.55(3),β=80.35(3),γ=81.09(3)°, V=668.2(2)3 , Z=1, Dc=1.477g/cm 3 , F(000)=311, and the final R=0.0744 and wR=0.1601 for 2301 observed reflections with I > 2σ(I). And those for 2: monoclinic, space group P21 /c with a=14.789(3), b=11.713(2), c=18.846(4),β=107.85(3)°, V=3107.4(11)3 , Z=4, D c=1.389 g/cm 3 , F(000)=1368, and the final R=0.0749 and wR=0.1348 for 5423 observed reflections with I > 2σ(I). Both 1 and 2 are four-coordinated complexes, with a square-planar geometry of copper(Ⅱ) in 1 and a slightly distorted tetrahedral geometry of zinc(Ⅱ) in 2. An asymmetric unit consists of only one half of a Cu ion and one L ligand in 1, while an asymmetric unit is composed of one Zn ion, two L ligands and three water molecules in 2. Non-classical C-H···O and C-H F hydrogen bonds play important roles in the formation of a 1D chain of 1, but O-H O and O-H N hydrogen bonds play dominant roles in the self-assembly of a 3D network of 2. The antibacterial activities of 1 and 2 against B. subtilis, S. aureus, S. faecalis, P. aeruginosa, E. coli and E. cloacae have been evaluated by MTT method.  相似文献   

4.
The title compound [Cd(C20H14N4)2Cl2] 1 was synthesized via the hydrothermal reaction of CdCl2·7H2O and NaOH with 1,3-bis(benzimidazol-2-yl)benzene (BMB), and characterized by elemental analysis and infrared spectra. The crystal of 1 crystallizes in monoclinic, space group C2/c with a = 21.021(6), b = 9.489(3), c = 18.302(6), β = 108.686(6)o, V = 3458.2(19)3, Z = 4, C40H28CdN8Cl2, Mr = 804.01, Dc = 1.544 g/cm3, F(000) = 1624 and μ(MoKα) = 0.829 mm-1. The final R = 0.0306 and wR = 0.0779 for 3334 observed reflections with I > 2σ(I) and R = 0.0796 and wR = 0.0360 for all data. The cadmium atom is four-coordinated by the BMB ligands and Cl atom with a tetrahedral geometry. The extensive N-H···N hydrogen bonding interactions are observed in the structure, which further extend the [Cd(C20H14N4)2Cl2] units into a 1D structure. The thermogravimetric analysis measurement showed that compound 1 has thermal stability as no strictly clean weight loss step occurred below 425 ℃.  相似文献   

5.
A new 5,5'-bisdiazo-dipyrromethane compound 3 has been synthesized and cha- racterized. The crystal of 3 is of orthorhombic, space group Iba2 with a = 19.1914(17), b = 9.8396(8), c = 13.7643(12) , V = 2599.2(4)3, Z = 4, C29H34N6O2, Mr = 498.62, Dc = 1.274 g/cm3 , F(000) = 1064, μ(MoKα) = 0.083 mm-1, the final R = 0.0302 and wR = 0.0786 for 6361 observed reflections with I > 2σ(I), and R = 0.0320 and wR = 0.08006 for all data. It reveals that the molecules of compound 3 assemble into grid structures through a R22(7) type hydrogen bonding motif between azopyrrole and hydroxyl group. The grids interpenetrate each other with the assistance of C-H···π interaction.  相似文献   

6.
A new cadmium coordination polymer,[Cd(C14H10N3O5)2(C5H5N)2]n,has been synthesized by the reaction of 2-hydroxy-N'-(4-nitrobenzoyl)benzohydraizide with cadmium acetate in pyridine and ethanol mixture solution.Its molecular structure was characterized by elemental analysis,IR spectra and X-ray crystal structure determination.Crystal data for this compound:tetragonal,space group I41/a,Mr=871.10,a=16.960(6),b=16.960(6),c=28.612(6) ,V= 8230(4)3,Z=8,Dc=1.406 g·m-3 and F(000)=3536.the final R=0.0326,wR=0.0847 for 2682 observed reflections with I 2σ(I) and R=0.0460,wR=0.0896 for all reflections.In the molecular structure of the complex,the cadmium atoms are coordinated to four N and two O atoms forming a slightly distorted octahedral geometry.The intermolecular hydrogen bonds link the neighboring molecules to form a coordination polymer which was then evaluated for its anti-tumor activities against two kinds of cell lines (K562 and BGC) by MTT method.A preliminary bioactivity study indicates that the complex has distinct inhibitory effect on K562 cell lines.  相似文献   

7.
Two new Schiff base complexes of nickle(Ⅱ) [C18H20NiN2O4]·1.5H2O(1) and [C18H20N2NiO4]·H2O(2) were synthesized and characterized by elemental analysis,IR,UV-Vis and X-ray crystal structure analysis.Both 1 and 2 crystallize in the orthorhombic system.Crystal 1:space group Pbcn with a = 12.8591(19),b = 14.779(2),c = 19.749(3) ,V = 3753.3(10) 3,C18H23N2NiO5.5,Mr = 414.07,Z = 8,Dc = 1.445 g/cm3,μ = 1.067 mm-1,F(000) = 1712,S = 1.037,the final R = 0.0741 and wR = 0.2101 for 4353 observed reflections(I > 2σ(I)) and R = 0.1157 and wR = 0.2380 for all data.Crystal 2:space group P21 with a = 9.4673(17),b = 11.559(2),c = 16.347(3) ,V = 1788.9(6) 3,C18H22N2NiO5,Mr = 405.07,Z = 4,Dc = 1.497 g/cm3,μ = 1.116 mm-1,F(000) = 840,S = 1.085,the final R = 0.0330 and wR = 0.0869 for 3151 observed reflections(I > 2σ(I)) and R = 0.0362 and wR = 0.0887 for all data.Each Ni atom of 1 and 2 is six-coordinated with two nitrogen atoms and four oxygen atoms from two salicylidene-2-ethanolamine ligands yielding a distorted octahedral geometry.Dimer structure is observed in the packing diagram of 1.The thermal stability of complex 2 is also studied.  相似文献   

8.
Two cadmium arsonate coordination polymers, Cd(HL1)2 (1, H2L1 = 4-aminophenylarsonatic acid) and Cd(H2L2)2·2H2O (2, H3L2 = 2-(4-arsonphenylamino)acetic acid), have been synthesized and characterized by IR and single-crystal X-ray diffraction. Crystal data for 1: triclinic, space group P1 with a = 5.7559(12), b = 7.0903(14), c = 8.9925(18), α = 89.04(3), β = 80.79(3), γ = 85.09(3)o, Dc = 2.496 g·cm-3, μ = 6.095 mm-1, F(000) = 260, Z = 1, the final R = 0.0574 and wR = 0.1376 for 1489 observed reflections with I > 2σ(I). And those for 2: monoclinic, space group P21/c with a = 4.7595(10), b = 9.925(2), c = 22.609(5), β = 91.81(3)°, Dc = 2.167 g·cm-3, μ = 4.168 mm-1, F(000) = 684, Z = 2, the final R = 0.0335 and wR = 0.0815 for 2340 observed reflections with I > 2σ(I). The structure of 1 shows a two-dimensional layer consisting of inorganic chains of {CdN2(AsO3)2} along the a axis linking with the phenyl groups. These layers are further linked through strong interlayer hydrogen bonding interaction to form a three-dimensional hydrogen bond supramolecular architecture. Compound 2 has inorganic chains of {CdO2(AsO3)2} similar to 1, which connect with four adjacent inorganic chains forming a three-dimensional framework.  相似文献   

9.
丁毅  杨智  郝鹏飞  钟明东  杨鹰 《结构化学》2013,32(6):799-804
Aminosilane bearing bulky substituents on nitrogen: LH2(L=Me2Si(NDipp-)2 , Dipp=2,6-diisopropylphenyl) was reacted with BuLi in toluene. The resulting bulky chelating dianion Me2Si(NDipp-)2 was used to synthesize the unusual spirocyclic heterotriatomic complex [Me2Si(NDipp)2]2Sn (1) by its reaction with SnCl4 and the bulky heterotriatomic complex Me2Si(NDipp)2SnPh2 (2) with Ph2SnCl2.1 belongs to the monoclinic system, space group P21/n with a=13.193(2), b=20.663(3), c=20.403(3), β=99.954(2)o, V=5478.3(15)3 , C55H85.5N4Si2Sn, Mr=977.64, Z=4, Dc=1.185Mg/m3 , μ(MoKα)=0.547mm-1 , F(000)=2086, S=1.000, the final R=0.0614 and wR=0.1322 for 14446 observed reflections (I2σ(I)) and R=0.0797 and wR=0.1456 for all data. 2 belongs to the triclinic system, space group Pī with a=10.36(15), b=13.204(7), c=14.363(7), α=90.214(10), β=106.182(7), γ=109.854(8)o, V=1764.4(15)3 , C38H50N2SiSn, Mr=681.58, Z=2, Dc=1.283 Mg/m3 , μ(MoKα)=0.785 mm-1 , F(000)=712, S=1.002, the final R=0.0498 and wR=0.0955 for 7533 observed reflections (I2σ(I)) and R=0.0676 and wR=0.1018 for all data. In the structure of 1, the tin atom is located in the spirocyclic center of the two fused four-membered SnN 2 Si rings. The two complexes were characterized by 1H NMR, elemental analysis, and single-crystal X-ray structural analysis.  相似文献   

10.
Three novel metal-organic complexes with formulas [Ni(C9N2O2H7)2(CH3OH)2](1),[Zn(C9N2O2H7)2(H2O)2](2) and [Cd(C9N2O2H7)2(CH3OH)2](3) were synthesized by the reactions of Ni,Zn and Cd salts with ethyl 2-benzimidazolylacetate under hydrothermal conditions or layering technique,and characterized by single-crystal X-ray diffraction analysis,IR spec-troscopy,solid-state luminescent properties and thermogravimetric(TG) analysis.The crystal data for these three complexes are as follows:for 1,monoclinic,space group P21/c,a = 9.384(3),b = 9.634(3),c = 11.292(3) ,β = 95.787(5)°,V = 1015.7(5) 3,Z = 2,F(000) = 492,Dc = 1.547 Kg/m3,μ = 1.002 mm-1,the final R = 0.0451 and wR = 0.0900 for 1833 observed reflections with Ⅰ 2σ(Ⅰ);for 2,orthorhombic,space group Pbca,a = 10.031(4),b = 10.379(4),c = 17.525(7),V = 1824.6(12) 3,Z = 4,F(000) = 928,Dc = 1.645 Kg/m3,μ = 1.392 mm-1,the final R = 0.0452 and wR = 0.0996 for 1661 observed reflections with Ⅰ 2σ(Ⅰ);for 3,monoclinic,space group P21/c,a = 9.9114(13),b =10.4852(15),c = 10.4120(14) ,β = 108.453(5)°,V = 1026.4(2) 3,Z = 2,F(000) = 532,Dc = 1.705 Kg/m3,μ = 1.110 mm-1,the final R = 0.0322 and wR = 0.0805 for 1822 observed reflections with Ⅰ 2σ(Ⅰ).In the three complexes,the ethyl 2-benzimidazolylacetate shows the same chelating mode,and the adjacent units are interlinked into a two-dimensional layer through hydrogen-bonds(O-H···O,N-H···O).  相似文献   

11.
Utilizing mononuclear complex Ni(2-mpac)2(H2O)2 as the molecular building block,a novel coordination polymer [Ni2(2-mpac)4(4,4'-bpy)·2H2O]n (1,2-mpac = 5-methyl-2-pyrazinecarboxylic acid, 4,4'-bpy = 4,4'-bipyridine) was successfully synthesized and structurally characterized by X-ray single-crystal diffraction method. Crystal data: monoclinic, space group C2/c, a = 23.870(1),b = 9.887(4), c = 18.929(9) (A),β= 126.840(5)°, V = 3575(3) (A)3, Z = 4, S = 1.046, μ = 1.594 mm-1,F(000) = 1768 and Dc = 1.127 g·cm-3. The final R = 0.0351 and wR = 0.0792 for 2372 observed reflections with Ⅰ> 2σ(Ⅰ) and R = 0.0564 and wR = 0.0938 for all reflections.  相似文献   

12.
The title compound [NdK(btec)(H2O)2]n 1 was synthesized via the hydrothermal reaction of Zn(OAc)E·H2O, Nd(NO3)3 and KOH with 1,2,4,5-benzenetetra-carboxylic acid (H4btec), and characterized by elemental analysis and infrared spectra. The crystal of 1 crystallizes in monoclinic, space group P21/c with a = 8.9023(3), b = 7.8954(1), c = 17.6249(5)A,β= 91.857(1)°, V= 1238.16(6)A^3, Z = 4, C10H6KNdO10, Mr= 469.49, Dc = 2.519 g/cm^3, F(000) = 900 andμ(MoKa) = 4.585 mm^-1. The final R = 0.0404 and wR = 0.0832 for 2197 observed reflections with I 〉 2σ(I) and R = 0.0431 and wR = 0.0854 for all data. X-ray diffraction reveals that the btec ligand serves as a μ16-bridging ligand to link the Nd(Ⅲ) and K(Ⅰ) atoms into a three-dimensional coordination polymer. Photoluminescent investigation shows that the title compound displays strong emission in the blue region, which may be attributed to an intraligand emission state.  相似文献   

13.
1 INTRODUCTION The rational design and synthesis of metal-organic coordination polymers have generated considerable interest in supramolecular chemistry and material science owing to their intriguing structural diver- sities and potential applications as functional mate- rials[1~3]. Up to now, some structural motifs with specific topologies and functions have been con- structed through rational combination of organic li- gands containing appropriate coordination sites and metal ions beari…  相似文献   

14.
在水溶液中以Cu(NO3)2•3H2O, 2-mpac和KSCN反应得到了一个通过硫氰酸根桥连的混配配合物[Cu(2-mpac)(SCN)(H2O)•H2O]n (1) (2-mpac: 5-methylpyrazine-2-carboxylic acid), 利用元素分析, 红外光谱, 单晶X射线衍射, X射线粉末衍射以及热重分析对配合物1进行了表征. 晶体学数据: 三斜晶系, P-1空间群, a=0.5567(2) nm, b=1.0339(3) nm, c=1.0532(3) nm, α=64.030(2)°, β=77.620(3)°, γ=85.945(3)°, V=0.5321(3) nm3, Z=2, S=1.061, 最终偏离因子[I>2σ(I)] R1=0.0444, wR2=0.0905, 对于全部数据R1=0.0647, wR2=0.0988. 变温磁化率研究表明配合物1中的Cu(II)离子之间存在弱的反铁磁相互作用.  相似文献   

15.
Two homochiral mercury (1) and cadmium (2) complexes derived from chiral twisted biphenyl pyridine ligand (3,3'-bipyridine-5,5',6,6'-tetramethyl-2,2'-dimethoxy-1,1'-biphenyl) have been synthesized and characterized by IR, microanalysis, TGA, UV-Vis, powder and single-crystal X-ray crystallography. Both 1 and 2 crystallize in orthorhombic space group P21212 with Z = 2. For 1, a = 14.2038(16), b = 14.3630(17), c = 7.0257(8), V = 1433.3(3)3, Mr = 878.91, Dc = 2.037 g/cm3, μ = 7.549 mm-1, F(000) = 824, the final GOF = 1.017, R = 0.0296 and wR = 0.0645 for 2925 observed reflections with I > 2σ(I). For 2, a = 14.212(3), b = 14.392(3), c = 7.0498(14), V = 1442.0(5)3, Mr = 790.72, Dc = 1.821 g/cm3, μ = 2.924 mm-1, F(000) = 760, the final GOF = 1.075, R = 0.0340 and wR = 0.0834 for 3144 observed reflections with I > 2σ(I). The crystal structures of 1 and 2 are isostructural and each adopts a two-dimensional supramolecular network which contains the C-H···π interactions.  相似文献   

16.
Two new macrocyclic compounds, [Cu2(L)2](ClO4)4·2CH3OH (1) and [Cu(L)](ClO4)2·2H2O (2) (L = 1,3,10,12,15,18-hexaazatetracyclodocosane) were synthesized by condensation reactions involving amines and formaldehyde in the presence of copper anion. Compound 1 crystallizes in triclinic, space group Pí with a = 10.442(2), b = 14.197(3), c = 17.388(4), α = 91.218(4), β = 90.69(3), γ = 93.756(4)o, V = 2520.4(9)3, Z = 2, F(000) = 1260, Dc = 1.589 Mg/m3, Mr = 1205.92, μ = 1.137 mm-1, λ = 0.71073, the final R = 0.0668 and wR = 0.1573 for 9703 observed reflections with I > 2σ(I). Compound 2 crystallizes in monoclinic, space group C2/c with a = 16.911(2), b = 11.4172(15), c = 27.059(4), β = 107.787(2)o, V = 4974.7(12)3, Z = 8, F(000) = 2504, Dc = 1.610 Mg/m3, Mr = 602.92, μ = 1.155 mm-1, λ = 0.71073 , the final R = 0.0419 and wR = 0.1131 for 4374 observed reflections with I > 2σ(I).  相似文献   

17.
Two new Schiff base benzoyl hydrazone compounds, C14H10FN3O3 (Ⅰ) and C14H10F2N2O (Ⅱ), have been synthesized and characterized by elemental analysis, IR, UV and X-ray single-crystal diffraction. Both compounds crystallize in monoclinic, space group P21/c with a = 7.0514(14), b = 25.928(5), c = 7.7099(15), β = 111.823(2)°, V = 1308.6(4)3, Z = 4, C14H10FN3O3, Mr = 287.25, Dc = 1.458 g/cm3, μ(MoKα) = 0.115 mm-1, F(000) = 592, the final R = 0.0841 and wR = 0.2489 for 1901 observed reflections (I > 2σ(I)) for I; a = 11.232(3), b =12.735(4), c = 8.612(2) , β = 90.869(3)°, V = 1231.7(6)3, Z = 4, C14H10F2N2O, Mr = 260.24, Dc = 1.403 g/cm3, μ(MoKα) = 0.111 mm-1, F(000) = 536, the final R = 0.0453 and wR = 0.1085 for 1317 observed reflections (I > 2σ(I)) for Ⅱ. The antibacterial activities of both compounds against two bacteria were first studied and one compound showed considerable antibacterial activity against K. Pneumonia and S. aureus.  相似文献   

18.
林榕光 《结构化学》2011,30(10):1483-1492
Three lanthanum/4-sulfocalix[4]arene complexes,namely,H2[(H4CAS)La(H2O)7]2· H2[(H4CAS)La(H2O)7]2·2C2H5OH·12H2O(1),[H(H4CAS)La(H2O)5]·5H2O(2)and [(H4CAS)La-(H2O)4(NO3)La(H2O)5]·7H2O(3),have been synthesized at different pH conditions.Complex 1,which exhibits the structure of "molecular capsule" containing the guest of C2H5OH molecule,is formed at pH = 1.At pH = 2~3,a two-dimensional(2D)coordination polymer of 2 is formed.Further increase of the pH value to 5 leads to the three-dimensional(3D)coordination polymer of 3.Crystal data for 1:monoclinic,space group P21/n,a = 10.8743(16),b = 25.957(4),c = 15.863(2),β = 94.763(2)°,V = 4462.1(11)3,Mr = 1160.87,Z = 4,F(000)= 2376,R = 0.0370 and wR = 0.0936;Crystal data for 2:tetragonal,space group P4/n,a = 11.6593(16),c = 14.069(4),V = 1912.5(6)3,Mr = 1114.81,Z = 2,F(000)= 1136,R = 0.0849 and wR = 0.1906;and those for 3:triclinic,space group P1,a = 10.4588(16),b = 14.995(2),c = 16.699(3),α = 65.446(3),β = 83.487(3),γ = 73.305(3)°,V = 2281.6(6)3,Mr = 1367.76,Z = 2,F(000)= 1368,R = 0.0423 and wR = 0.1183.  相似文献   

19.
The reaction of 6,7-dicyanodipyridoquinoxaline (DICNQ) with AgNO3 in a 1:1 molar ratio by solution method gave a new complex [Ag(DICNQ)2]NO3 1. Single-crystal X-ray diffraction analysis reveals that the complex crystallizes in the space group Ibca of orthorhombic system with eight formula units in a cell. Crystal data for 1: a = 15.7055(17), b = 18.411(2), c = 20.680(2)A, V = 5979.7(11)A3, Z = 8, C32Hl2AgN13O3, Mr = 734.42, Dc = 1.632 g/cm3, μ= 0.734 mm-1, F(000) = 2928, S = 1.023 and T= 293(2) K. The final R = 0.0659 and wR = 0.1927 for 2118 observed reflections with I 〉 2σ(I), and R = 0.0801 and wR = 0.2196 for all data. The complex builds up a packing structure by π-π stacking interactions and shows a luminescent feature.  相似文献   

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