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1.
A new aromatic carboxylate ligand,namely 5-(pyrrolidin-1-yl)-1,3-benzenedicar-boxylic acid(H2pybdc),was synthesized and characterized by FT-IR and single-crystal X-ray diffraction analysis.It crystallizes in triclinic system,P1 space group with a = 10.05(5) ,b = 11.53(5),c = 12.92(6) ,α = 112.11(6)°,β = 92.79(7)°,γ = 102.98(7)°,V = 1337.113,Z = 4,Mr = 253.25,Dc = 1.258 g.cm-3,μ = 0.099 mm-1,F(000) = 536,the final R = 0.0822 and wR = 0.2575 for 1893 observed reflections(I >2σ(I)).Based on it,a two-dimensional grid-type Zn(Ⅱ) coordina-tion polymer of {[Zn(pybdc)(bpy)(H2O)].2H2O.0.5CH3OH}n(1) was solvothermally synthesized,which crystallizes in triclinic,space group P1 with a = 10.218(5) ?,b = 11.176(5) ,c =11.350(5) ,α = 95.855(5)°,β = 94.248(5)°,γ = 101.421(5)°,V = 1257.9(2) 3,Z = 2,Mr = 524.84,Dc = 1.386 g.cm-3,μ = 1.024 mm-1,F(000) = 546,the final R = 0.0635 and wR = 0.1879 for 3913 observed reflections(I >2σ(I)).  相似文献   

2.
One novel neodymium-tartrate complex exhibiting distinctive rare topology,name-ly,[Nd(TTA)1.5(H2O)]·H2O(1,H2TTA = tartaric acid),was successfully synthesized by the reaction of neodymium-oxide with H2TTA under hydrothermal conditions.Single-crystal X-ray diffraction analysis reveals that 1 belongs to the monoclinic system,space group P21/c with a = 6.0357(13),b = 7.6106(17),c = 24.389(5) ,β = 100.136(5)°,V = 1102.8(4) 3,Z = 4,Dc = 2.423 g·cm-3,μ = 4.763 mm-1,F(000) = 776,the final R = 0.0689 and wR = 0.2191.In complex 1,the 2D layer consisting of μ4-ligands and 4-connected Nd(III) centers is a rare example of uni-nodal net of(42.64) topology.The 2D layers are further connected by μ2-TTA2-ligands to give a 3D(42.64)(42.67.8) topological structure,where the Nd(III) atoms act as rare 5-connected topological blocks.  相似文献   

3.
王毅  邵华  徐为人  王建武 《结构化学》2012,31(1):110-114
The title compound ethyl 1-(2-bromoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate 1 has been synthesized and structurally characterized by single-crystal X-ray diffraction.The crystal is of monoclinic(C15H17BrN2O3,Mr = 353.22),space group C21 with a = 24.691(7),b = 6.7678(17),c = 17.884(5) ,β = 97.184(5)o,V = 2965.1(13) 3,Z = 8,Dc = 1.583 g.cm-3,F(000) = 1440,μ = 2.784 mm-1,the final R = 0.0260 and wR = 0.0596 for 2684 observed reflections with I > 2σ(I).All the carbon atoms in the molecule are nearly coplanar except C(15),with a large conjugated system among the carbonyl group,pyrazole ring and the benzene ring.Three non-classical intermolecular hydrogen bonds help to stabilize the crystal lattice.The regioselectivity was rationalized based on the coordination of potassium ion with the N-anion and the carbonyl oxygen atom.  相似文献   

4.
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   

5.
Two new 1-naphthoate-based Pb(Ⅱ) complexes, [Pb(phen)(NA)2]n 1 and [Pb(bpp)(NA)2]n 2 (NA = 1-naphthoate, phen = 1,10-phenanthroline, and bpp = 1,3-bi(4-pyri- dyl)propane), were hydrothermally synthesized and structurally characterized. 1 is of monoclinic system, space group C2/c with a = 28.114(3), b = 10.9601(10), c = 8.6843(8) , β = 93.3760(10)°, V = 2671.3(4) 3, Dc = 1.814 g/cm3, Mr = 729.73, Z = 4, F(000) = 1416, μ = 6.360 mm-1, the final R = 0.0346 and wR = 0.0948 for 2184 observed reflections with I > 2σ(I). Complex 2 crystallizes in monoclinic, space group C2/c with a = 26.491(2), b = 8.7773(6), c = 27.893(2) , β = 113.3020(10)°, V = 5956.8(8)3, Dc = 1.668 g/cm3, Mr = 747.78, Z = 8, F(000) = 2928, μ = 5.706 mm-1, the final R = 0.0211 and wR = 0.0493 for 3677 observed reflections with I > 2σ(I). Both complexes present one-dimensional (1-D) zigzag chains extended by anionic NA linkers for 1 and bridged by neutral bpp connectors for 2, which are further aggregated into 2-D supramolecular networks by interchain π···π stacking interactions. In addition, the two solid-state complexes exhibit different strong emissions at room temperature, suggesting their potential applications as fluorescence materials.  相似文献   

6.
Two novel energetic coordination compounds Zn2(DAT)5(H2O)3(TNR)2 and Co2(DAT)5(H2O)3(TNR)2 were synthesized and their structures were characterized by elemental analysis and FT-IR spectroscopy.The crystal structures were determined by single-crystal X-ray diffraction.The results reveal that the compounds have similar molecular structures and the crystals belong to the triclinic system,space group P with a = 11.491(3),b = 13.564(3),c = 15.496(3) ,V = 2180.4(8) 3,C17H28 Zn2N36O19,Mr = 1203.02 g·mol-1,Dc = 1.832 g·cm-3,μ(MoKα) = 1.221 mm-1,F(000) = 1223,Z = 2,R = 0.0596 and wR = 0.1514 for 11289 observed reflections(I > 2σ(I)) for Zn2(DAT)5(H2O)3(TNR)2 and a = 11.5291(13),b = 13.4894(15),c = 15.4852(17) ,V = 2164.8(4) 3,C17H28Co2N36O19,Mr = 1190.14 g·mol-1,Dc = 1.826 g·cm-3,μ(MoKα) = 0.888 mm-1,F(000) = 1211,Z = 2,R = 0.0576 and wR = 0.1431 for 11218 observed reflections(I > 2σ(I)) for Co2(DAT)5(H2O)3(TNR)2,respectively.The thermal decomposition characteristics of the com-pounds were investigated using differential scanning calorimetry and thermal gravimetry-diffediffer-rential thermal gravimetry.The results of thermal decomposition processes were similar for the two compounds.Both undergo four-step decomposition after the loss of coordinated H2O molecules.The final solid residues for the two DAT complexes were the corresponding metal oxides.The kinetic parameter of the first exothermic process of the compounds was studied by applying the Kissinger and Ozawa-Doyle methods.The thermodynamic parameters of the activation could be calculated.Sensitivity tests revealed that Co2(DAT)5(H2O)3(TNR)2 was more sensitive than Zn2(DAT)5(H2O)3(TNR)2.  相似文献   

7.
赵恒武  李斌 《结构化学》2012,31(1):61-66
Hydrothermal reactions between a new flexible multicarboxylate ligand of 3-(2-carboxy-phenoxy)-benzoic acid(H2L) and transitional metal cations of M2+(M = Cu2+,Ni2+) in the presence of the secondary ligands of 1,10-phenanthroline(phen),2,2'-bipyridine(2,2?-bpy),and 4,4'-bipyridine(4,4'-bpy) afford two novel coordination polymers Ni2(H2O)2L2(phen)(μ-4,4'-bpy)(1) and CuIIL(2,2'-bpy)(2).Both compounds were characterized by X-ray crystallography.Crystal data of 1:C31H24N3NiO7,Mr = 609.24,monoclinic,space group P21/c,a = 17.560(8),b = 10.528(5),c = 30.613(15) ,V = 5659(5) 3,Z = 4,Dc = 1.430 g/cm3,F(000) = 502,μ = 0.739 mm-1,R = 0.0902,wR = 0.1346(I > 2σ(I)),S = 1.002.Crystal data of 2:C24H16CuN2O5,Mr = 475.93,monoclinic,space group P21/n,a = 9.8904(13),b = 11.0782(16),c = 18.321(3) ,β = 11.0782(16)°,V = 1993.8(5) 3,Z = 4,Dc = 1.585 g/cm3,F(000) = 972,μ = 1.137 mm-1,R = 0.0433,wR = 0.0723(I > 2σ(I)) and S = 1.004.Compound 1 displays a one-dimensional(1D) zigzag chain structure constructed from phen ligands and the deprotonated ligands of L2-,which further forms a ladder-shaped supramolecular architecture via the bridge of 4,4'-bpy ligand.Complex 2 also possesses a ladder-shaped architecture based on the dinuclear CuII units.  相似文献   

8.
Four cobalt supramolecular architectures with Hmtyaa(2-(5-methyl-1,3,4-thiadiazol-2-ylthio)acetic acid) ligand have been synthesized.[Co(mtyaa)2(H2O)4]·4(H2O)(1):triclinic,space group P1 with a = 6.7537(18),b = 8.591(2),c = 10.615(3) ,α = 96.495(4),β = 99.955(5),γ = 103.615(5)°,V = 581.9(3) 3,Z = 1,Mr = 581.52,Dc = 1.659 g/m3,μ = 1.158 mm-1,F(000) = 301,Rint = 0.0557,R = 0.0377 and wR = 0.1056 for 1854 observed reflections with Ⅰ 2σ(Ⅰ);{[Co(4,4'-bipy)(H2O)4]·2(mtyaa)·2(H2O)}n(2):triclinic,space group P1 with a = 7.669(2),b = 8.840(3),c = 11.521(4) ,α = 79.912(5),β = 73.954(5),γ = 86.612(6)°,V = 738.9(4) 3,Z = 1,Mr = 701.67,Dc = 1.577 g/m3,μ = 0.924 mm-1,F(000) = 363,Rint = 0.0636,R = 0.0498 and wR = 0.1311 for 2155 observed reflections with Ⅰ 2σ(Ⅰ);{[Co(4,4'-bipy)(mtyaa)(H2O)3](mtyaa)·2(H2O)}(3):monoclinic,space group Pc with a = 7.7832(17),b = 11.527(3),c = 31.483(7) ,β = 91.952(4)°,V = 2822.9(11) 3,Z = 4,Mr = 683.65,Dc = 1.609 g/m3,μ = 0.963 mm-1,F(000) = 1412,Rint = 0.0758,R = 0.0609 and wR = 0.1095 for 5841 observed reflections with I 2σ(I);{[Co(bpe)(mtyaa)2(H2O)2]}n(4):monoclinic,space group C2/c with a = 19.290(11),b = 12.027(7),c = 14.865(8) ,β = 125.648(8)°,V = 2802(3)3,Z = 4,Mr = 657.66,Dc = 1.559 g/m3,μ = 0.959 mm-1,F(000) = 1356,Rint = 0.0456,R = 0.0332 and wR = 0.0985 for 2299 observed reflections with Ⅰ 2σ(Ⅰ).  相似文献   

9.
A new 1D coordination polymer [Co(bpp)3Cl2(H2O)2]n 1 (bpp = 1,3-bis(4-pyridyl)-propane) was synthesized and characterized by elemental analysis,IR spectrum and single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system,space group Ibca with a = 16.569(9),b = 17.240(10),c = 27.087(16) ,V = 7738(8) 3,Z = 8,Dc = 1.306 g/cm3,Mr = 760.65,λ(MoKa) = 0.71073 ,μ = 0.623 mm1,F(000) = 3192,the final R = 0.0678 and wR = 0.2011. The Co(II) atom is coordinated in a slightly distorted octahedral CoN4Cl2 geometry by two Cl atoms in the axial positions,four N atoms from the two bridging bpp ligands and two pendant bpp ligands. The CoN4Cl2 octahedra are connected by the bridging bpp ligands to form a 1D neutral coordination polymer chain. The chains are linked by face-to-face π-π interactions between adjacent pendant bpp ligands to give rise to a 3D supramolecular architecture. The photoluminescent investigation indicates that the emission of 1 is attributed to ligand-centered emission. The variable-temperature magnetic susceptibility measurement shows weak antiferromagnetic behavior in the complex.  相似文献   

10.
Two zinc arsonate coordination polymers, Zn(4-apa)·H2O (1, 4-apaH2 = 4-amino- phenylarsonatic acid) and Zn(4-apa) (2), have been hydrothermally synthesized and characterized by elemental analysis, IR and single-crystal and powder X-ray diffraction. Crystal data for 1: monoclinic, space group C2/c with a = 23.056(5), b = 5.4224(11), c = 15.027(3) , β = 121.22(3)°, V = 1606.6(6) ?3, Dc = 2.468 g·cm-3, F(000) = 1168, μ = 7.122 mm-1, Z = 8, the final R = 0.0309 and wR = 0.0752 for 1763 observed reflections with I > 2σ(I). For 2: monoclinic, space group P21/c with a = 8.7852(18), b = 9.2744(19), c = 9.752(2) , β = 103.45(3)°, V = 772.7(3)3, Dc = 2.410 g·cm-3, F(000) = 544, μ = 7.387 mm-1, Z = 4, the final R = 0.0321 and wR = 0.0741 for 1696 observed reflections with I > 2σ(I). The structure of 1 shows a two-dimensional (4,4)-network composed of an inorganic ladder chain bridged by the phenyl-linkers of 4-apa ligands. Compound 2 exhibits a 3D layer-pillared framework with crb net, in which inorganic (4-82)-networks are joined by the phenyl-linkers.  相似文献   

11.
A copper(II) coordination polymer, [Cu3(HOA)2(bpp)4]n (1, H4OA = 3,3′,4,4′-oxidiphthalic acid, bpp = 1,3-bis(4-pyridyl) propane), has been hydrothermally synthesized. The crystal structure is of monoclinic, space group P21/c with a = 11.544(3), b = 16.129(4), c = 21.181(6) , β = 98.848(5), V = 3897.0(2) 3, C84O18N8H70Cu3, Mr = 1670.13, Z = 2, Dc = 1.423 g/cm3, F(000) = 1722, μ = 0.887 mm-1 , R = 0.0878 and wR = 0.2583 for 8496 observed reflections (I > 2σ(I)). Single-crystal X-ray structural analysis reveals that 1 is a three-dimensional (3D) framework based on a two-dimensional (2D) mesomeric layer of alternating left-and right-handed helical chains. The monodentate terminal and bidentate bridging bpp ligands in the same conformation are all encapsulated in the figure-of-eight-shaped channels, thus further stabilizing the whole three-dimen-sional framework.  相似文献   

12.
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   

13.
A new cooper benzenedicarboxylate metal-organic coordination polymer,[Cu(μH2O)(BDC)]n·nDMF(1,H2BDC = 1,4-benzenedicarboxylate acid,DMF = N,N'-dimethylfor-mamide),has been successfully synthesized under hydrothermal conditions and characterized by IR spectroscopy,elemental analysis,thermogravimetric analysis and single-crystal X-ray diffraction.This complex crystallizes in triclinic,space group P1 with a = 6.605,b = 10.44780(10),c = 11.0881(6) ,α = 62.064(11),β = 73.410(15),γ = 78.404(16)°,C11H13CuNO6,Mr = 318.76,V = 645.79(8) 3,Z = 2,Dc = 1.639 g/cm3,F(000) = 326,μ = 1.712 mm-1,the final R = 0.0362 and wR = 0.1330 for 2055 observed reflections with I > 2σ(I).The title compound contains infinite inorganic chains constructed by Cu oxygen octahedra by sharing corners and edges.Each chain is connected by BDC linkers to four other chains to form a three-dimensional framework with irregular rhombic channels where the DMF molecules are encapsulated.  相似文献   

14.
1 INTRODUCTION Chemists have recognized that intermolecular inter- actions are the basis of functional properties for most molecular assembles, and detailed understan- ding of non-covalent chemistry is therefore funda- mental to interpreting and predicting the relation- ship between structure and function. Among intermo- lecular interactions, the π-π stacking between aro- matic rings is correlated with the electron transfer process in some biological systems[1], and the nature of π-π s…  相似文献   

15.
The title complex [Na(H2MIA-)(H2O)](1,H3MIA = 2-methyl-1H-imidazole-4,5-dicarboxylic acid) has been synthesized by hydrothermal synthesis and structurally characterized by X-ray crystallography.Compound 1 crystallizes in orthorhombic,space group ibam with a = 14.4737(19),b = 17.553(2),c = 6.5285(9),V = 1658.6(4) 3,C6H7N2NaO5,Mr = 210.12,Z = 8,Dc = 1.675 g/cm3,F(000) = 864,μ = 0.188 mm-1,λ(MoKα) = 0.071073 ,R = 0.0383 and wR = 0.0987 for 1046 observed reflections(I > 2σ(I)).In the structure of 1,each coordination water coordinates with two Na(I) ions at the same time and links the neighboring Na(I) ions to form a one-dimensional Na(I)-water chain.Each H2MIA-ligand links the neighboring Na(I) of Na(I)-water chain to form a novel two-dimensional supramolecular network.The 2-D network is stabilized by O-H…N hydrogen bonds and π-π interaction.The 2D network is further linked via O-H…O hydrogen bonds to yield a three-dimensional framework.  相似文献   

16.
A new complex,[Cd(L)2(pbda)]n(1,L = 3-(2-pyridyl)-4-(p-methoxyphenyl)-5-(2-thienyl)-1,2,4-triazole,H2pbda = 1,4-benzenedicarboxylic acid),has been hydrothermally prepared and characterized by single-crystal X-ray diffraction,IR spectroscopy,elemental analysis and PXRD.The complex crystallizes in monoclinic,space group P21/c with a = 8.2929(9),b = 21.668(2),c = 10.9940(11) ,β = 90.242(2)o,V = 1975.5(4) 3,Z = 2,C44H32N8O6S2Cd,Mr = 945.30,Dc = 1.589 g/cm3,μ = 0.721 mm-1,S = 1.097,F(000) = 960,the final R = 0.0590 and wR = 0.1045 for 3846 observed reflections(I > 2σ(I)).In the title complex,the rigid bridging pbda2-ligands utilize oxygen atoms of carboxylate groups to coordinate with Cd(II) atoms to form one-dimensional chains which are further interlinked into a three-dimension framework via the intermolecular weak interactions.Photoluminescence study revealed that complex 1 exhibits strong fluorescent emission band in the solid state at room temperature.  相似文献   

17.
1 INTRODUCTION N,N?-Bis(salicylidene)-1,3-diaminopropane (BSDP) is a versatile tetradentate ligand, which forms stable complexes with a large number of transition metals[1~3]. However, the complexes related to the BSDP deriva- tive,N,N?-bis(3,5-dichlorosalicylidene)-1,3-diamino- propane (BCDP), have been seldom reported. The prime interest in these complexes is their ability to afford functional solid materials with potentially controllable properties and novel molecular struc- tur…  相似文献   

18.
翁华森  林平  杜少武 《结构化学》2009,28(6):752-760
Three new cadmium or zinc arenedisulfonate complexes [Zn(bpp)2(L)]n 1, { [Cd(bpp)2(1,5-NDS)(H2O)2]·4H2O }n 2 and { [Cd(bpp)2(H2O2)2]·(1,5-NDS) } n 3 (L = 4,4′-bis(2-sulfonatostyryl)biphenyl, bpp = 1,3-di(4-pyd-dyl)propane and 1,5-NDS = 1,5-Naphthalenedisulfonate) have been synthesized from aqueous solution and structurally characterized by infrared spectroscopy, elemental analysis and single-crystal X-ray diffraction. Crystal data for complex 1: space group P21/n, a = 10.559(3), b = 13.138(4), c = 17.623(5)A^°, β = 100.852(3)°, V = 2400.9(12) A^°^3 Z = 2, Dc= 1.351 g/cm^3, F(000) = 1016, μ = 0.654 mm^-1, the final R = 0.0412 and wR = 0.0994; Crystal data for complex 2: space group P^-1, a = 8.5642(19), b = 10.076(3), c = 12.114(3) A^°, α = 81.623(7), β = 77.149(8), γ = 82.787(7)°, V = 1003.6(4) A^°^3 Z = 1, Dc= 1.495 g/cm^3, F(000) = 466,μ = 0.713 mm^3, the final R = 0.0241 and wR = 0.0713; Crystal data for complex 3: space group C2/c, a = 21.6024(15), b = 9.4608(5), c = 18.4656(11)A^°, β = 107.359(3)°, V= 3602.0(4)A^°^3 Z = 4, Dc= 1.533 g/cm^3, F(000) = 1704,μ = 0.780 mm^-1, the final R = 0.0229 and wR = 0.0572. The X-ray single diffraction reveals that 1 exhibits a 3D metal-organic framework formed from 2D Zn(bpp)2^2+ networks connected by L in the third dimension; 2 and 3 possess 3D and 2D architectures constructed from 1D polymeric chains through H-bond. Complexes 1-3 display photoluminescent emissions at 452 and 335 nm, respectively.  相似文献   

19.
The title compound, [Zn(AIP)(4,4-bipy)0.5(H2O)]n·0.75nH2O 1, was synthesized via the hydrothermal reaction of Zn(OAc)2 with 5-aminoisophthalic acid (H2AIP) and characterized by elemental analysis and infrared spectra. The complex crystallizes in monoclinic system, space group P21/c with a = 12.672(1), b = 7.6557(4), c = 16.181(1) , β = 109.187(2)o, V = 1482.6(2) 3, Z = 1, C52H52N8O23Zn4, Mr = 1418.58, Dc = 1.589 g/cm3, F(000) = 724 and μ(MoKα) = 1.685mm-1. The final R = 0.0702 and wR = 0.1524 for 1847 observed reflections with I > 2σ(I), and R = 0.0873 and wR = 0.1664 for all data. X-ray diffraction studies reveal that the title compound has an interesting 2D microporous architecture with guest water molecules inside the channel.  相似文献   

20.
1 INTRODUCTION Pronounced interest has been put in the field of coordination polymeric complexes owing to their fas- cinating molecular topologies[1~3] along with poten- tial applications as functional materials[4~6]. In par- ticular, complexes with helical structures attract much attention of scientists[7, 8] mainly due to their simi- larity to the structure of DNA molecule. To obtain new complexes, solv- and hydrothermal routes are currently used. In this way, the organic ligand act…  相似文献   

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