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1.
The title compound [Cu(HSSA)(py)3H2O]n (H3SSA = 5-sulfosalicylic acid,py = pyridine) Ⅰ has been synthesized and structurally determined by single-crystal X-ray diffraction. Ⅰ was further characterized by elemental analyses,thermogravimetric analyses,IR and UV-visible spectroscopy. The crystal belongs to the monoclinic system,space group P21/c with a = 9.4564(10),b = 18.2679(19),c = 15.7284(12) ,β = 126.045(4)o,V = 2196.9(4) 3,Z = 4,Dc = 1.618 g/cm3,Mr = 535.02,μ = 1.141 mm-1,F(000) = 1100,λ(MoKα) = 0.71073 ,the final R = 0.0429 and wR = 0.1044 for all observed reflections. In the structure,every two Cu(Ⅱ) atoms are bridged by a bivalent 5-sulfosalicylic anion to form a 1D chain-like coordination polymer. Lattice waters between chains link them to form 2D layers which are further linked by C-H···O hydrogen bonds to form a three-dimensional supramolecular network.  相似文献   

2.
The mononuclear complex, Cu(H2SIP-O)(bpy)(H2O) (H4SIP-O = 4-hydroxyl- 5-sulfoisophthalic acid and bpy = 2,2'-dipyridyl), has been synthesized by the hydrothermal reaction of Cu(OH)2 with NaH2SIP and bpy at 160 ℃, and characterized by single-crystal X-ray diffraction, elemental analysis and IR spectrum. The new ligand 4-hydroxyl-5-sulfoisophthalic acid derived from 5-sulfoisophthalic acid ligand under an in situ hydrothermal condition. The crystal of the complex crystallizes in a triclinic system, space group P1, with a = 7.757(4), b = 10.663(6), c = 11.727(7)A, α = 94.272(4), β = 104.067(7), γ = 97.400(7)°, V= 927.4(9)A^3, Z = 2, C18H14N2O9SCu, Mr= 497.93, Dc= 1.783 g/cm^3,μ = 1.350 mm^-1, F(000) = 506, the final R = 0.0518 and wR = 0.1513 for 4180 observed reflections with I 〉 2σ(I). The central Cu(II) ion is five-coordinated by two oxygen atoms from the H2SIP-O^2- ligand and two nitrogen atoms of bpy ligand in a distorted square-planar geometry as well as a water oxygen atom in the apical position to complete a distorted square-pyramidal coordination geometry. The mononuclear copper molecules are linked by hydrogen bonds between coordinated water molecules and sulfonate groups to form a one-dimensional double-chain structure. The chains are further held together through extensive π-π stacking interactions between the aromatic rings to form a three- dimensional supramolecular structure.  相似文献   

3.
王艳艳  代纪香  张千峰 《结构化学》2009,28(10):1187-1189
A novel layered mixed metal vanadium-cobadt complex, (py)5Co2(H2O)3[V4O12] 1 (py = pyridine), was hydro(solvo)thermally synthesized and characterized by single-crystal X-ray diffraction. It crystallizes in orthorhombic, space group Pca21 with a = 17.473(4), b = 11.447(2), c = 17.509(4)A^°, V = 5005.3(7)A^°3, Z = 4, Mr = 3502.1(12), Z = 4, Dc = 1.827 g/cm^3,μ(MoKα) = 2.023 mm^-1, F(000) = 1928, S = 1.020, the final R = 0.0400 and wR= 0.1063 for 6035 observed reflections with I 〉 2σ(I) and 460 variables. Complex 1 consists of tetrahedral VO4 groups to form the large layers which are alternately bonded by two cobalt complex species Co(py)2(H2O)2 and Co(py)3(H2O).  相似文献   

4.
A novel heterometallic complex [Na2Cu2Gd2(pdc)4(H2O)14·2H2O] (H3pdc = 1H- pyrazole-3,5-dicarboxylic acid) has been synthesized and characterized by 1R spectra, elemental analysis, and single-crystal X-ray analysis. The crystal belongs to the monoclinic system, space group P2 1/c with a = 7.9521(18), b = 12.251(3), c = 22.293(5) A, β = 110.173(5)°, V= 2038.5(8) A^3, Mr = 1388.13, Z = 2, F(000) = 1352, Dc = 2.261 g/cm^3,/2 = 4.380 mm^-1, the final R = 0.0409 and wR = 0.0622 for 2453 observed reflections with I 〉 2σ(I). The structural analysis shows that the Na^I, Cu^II and Gd^II ions are linked together by two kinds of bridging ligands (pdc^3- and H2O) to form a main moiety [Na2Cu2Gd2(pdc)4(H2O)14], which can be regarded as a centrosymmetric dimmer of [NaCuGd(pdc)2(H2O)7]. Many hydrogen bonds exist in the complex to build a 3D supramolecular framework.  相似文献   

5.
The supramolecular terbium complex, {[Tb(SIP)(H2O)5]2(bpy)3(H2O)}n (NaH2SIP = 5-sulfoisophthalic acid monosodium salt and bpy = 4,4'-bipyridyl), has been synthesized by the hydrothermal reaction of Tb4O7 with NaH2SIP and bpy at 165 ℃, and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectrum, powder X-ray diffraction and photoluminescence spectrum. It crystallizes in a monoclinic system, space group C2/c, with a = 30.6840(1), b = 10.9206(2), c = 17.4967(3) A, β= 111.931(1)°, V = 5438.65(14) A^3, Z = 4, C46H52N6O25S2Tb2, Mr = 1470.90, Dc = 1.796 g/cm^3, p = 2.747 mm^-1, F(000) = 2928, the final R = 0.0654 and wR = 0.1322 for 3806 observed reflections with I 〉 2σ(I). In the neutral [Tb(SIP)(H2O)5]2 motif, the Tb(III) ions are linked by the SIP ligands to form a one-dimensional zigzag chain propagating along the c axis. The zigzag chains are linked together by hydrogen bonds and π-π stacking interactions to form a two-dimensional supramolecular framework. The uncoordinated bpy molecules act as pillars to extend the two-dimensional sheets into a distinctive pillared three-dimensional supramolecular structure through O-H...N hydrogen bonds. The photoluminescence of the complex was investigated at room temperature in the solid state.  相似文献   

6.
The title compound 1-(β-D-glucopyranosyl)-3-amino-5-methyl- 1H- 1,2,4-triazole was synthesized and characterized by IR, 1H-NMR and elemental analysis. Its single crystals of 2H2O adduct suitable for X-ray analysis were obtained by the slow evaporation of a H2O solution and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to orthorhombic, space group P212121 with a = 7.7490(15), b = 10.424(2), c = 17.447(4) A^°, V = 1409.3(5) A^°^3, Z= 4, C9H20N4O7, Mr = 296.29, Dc = 1.396 g/cm^3,μ = 0.120 mm^-1, S = 1.007, F(000) = 632, R = 0.0686 and wR = 0.1560 for 1217 observed reflections with I 〉 20(I). The title molecules are linked through intermolecular hydrogen bonds to form two 1-D chain structures, and such adjacent chains are further linked by intermolecular hydrogen bonds and H2O bridges to form a 3-D supramolecular network structure. The preliminary bioassay results showed that the title compound exhibits fungicidal activities against Gibberella zeae and Colletotrichum orbiculare.  相似文献   

7.
A penta-coordinated Cu(Ⅱ) complex with 1,4-diazacycloheptane (DACH),[Cu(DACH)2(H2O)]Cl2(1),has been synthesized and characterized by X-ray diffraction,IR spectra,elemental analyses,thermal analyses,UV-Vis and ESR techniques.Complex 1 crystallizes in orthorhombic crystal system,Pbcn space group with a=1.6075(4),b=1.0539(3),c=0.9195(3)nm,V=1.5578(7)nm^3,Mr=352.79,Z=4,Dc=1.487g/cm^3,final R=0.0451 and wR=0.1294.The structure of 1 indicates that the central Cu(Ⅱ) atom is penta-coordinated by four nitrogen aboms of two DACH moieties at the equatorial positions and a water molecule at the axis position.The coordination geometry of Cu(Ⅱ) could be considered as an approximately ideal square-pyramidal environment.Both DACH rings arrange in cis-form and are predominantly in the boat-boat conformation (80%) with some disorder to the chair-chair conformation (20%).The Cl^- anions are hydrogen bonded with the nitrogen donors of the DACH rings and the oxygen donor of the coordinated H2O molecule to form a one-dimensional zigzag linear structure. The solution behaviors of 1 are also discussed in detail by Uvvis and ESR technique.  相似文献   

8.
A novel coordination polymer [Nd2(PDB)2(CH3COO)2(H2O)3] (H2PDB = pyridine3,4-dicarboxylic acid) has been synthesized by the reaction of Nd(CH3COO)3 with pyridine3,4-dicarboxylic acid under hydrothermal conditions. Elemental analysis, IR spectra and X-ray crystal structure analysis were carried out to determine the composition and crystal structure of the title complex which belongs to the triclinic system, space group P^-1 with a = 6.9409(14), b = 7.5497(15), c = 22.530(5)A, α = 84.79(3), β = 88.15(3), γ= 75.55(3)^o, C18H18N2O15Nd2, Mr = 790.82, Z = 2, V = 1138.5(4) A^3, Dc = 2.307 g/cm^3,μ = 4.593 mm^-1, -6≤h≤8, -5≤k ≤8, -26≤l≤ 26, F(000) = 760, Rint = 0.0298, R= 0.0314 and wR= 0.0695 (I〉 2σ(I)). Nd(1) and Nd(2) are linked into zigzag chains by carboxylate groups of acetate with interesting μ3-η^2:η^2 fashion. The zigzag chains are bridged by PDB to form a 2D framework, and a 3D supramolecular network is further constructed via π-π stacking.  相似文献   

9.
The hydrothermal reaction of Cd(OAc)2.H2O with 1,2-benzenedicarboxylate (1,2-BDC), imidazole and H2O resulted in the formation of a binuclear polymeric Cd( Ⅱ ) complex {[Cd2(1,2-BDC)2(Im)4].(H2O)}n which was then characterized by elemental analyses and single-crystal X-ray diffraction analysis. The crystal is of monoclinic system, space group P21/c with a = 14.6455(3), b = 9.3530(2), c = 23.7838(5)A, β= 106.6290(10)°, Cl12H104CdgN32O36, Mr = 3373.47, V = 3121.64(11)A^3, Dc = 1.795 g/cm^3, F(000) = 1672,μ= 1.428 cm^-1 and Z = 1. The final R = 0.0316 and wR = 0.0687 for 5045 reflections with I 〉 2σ(I). In the title complex, the two Cd( Ⅱ) ions are in different coordination environments with distorted octahedral and pengonal bipyramidal geometries, respectively. Two Cd polyhedra are linked together through one μ2-η^1:η^1 and one μ2-η^1:η^1 carboxylate groups from different 1,2-BDC ligands, giving rise to a binuclear Cd( Ⅱ ) cluster, and such clusters are connected by bridged 1,2-BDC ligands to form a 2-D structure along the c axis. The inter- and intermolecular hydrogen bonds further connect the 2-D structures into a 3-D supramolecular network.  相似文献   

10.
Two new supramoleeular polymers [ M (2-NH2 py)2 (ox) ] [ M = Co (1), Ni (2) ; 2-NH2py = 2-aminopyridine; ox = oxalate ] were hydrothermally synthesized and characterized by elemental analyses, IR and single-crystal X-ray diffraction analyses. The isomorphic compounds 1 and 2 both possess one-dimensional zigzag chain structures, which are composed of [ M (2-NH2 py)2 ]^2+ units bridged by tetradentate oxalate ligands to form three-dimensional supramolecular network v/a the C-H…O hydrogen bonds and π-π stacking interactions. Compound 1 displays antiferromagnetie interaction.  相似文献   

11.
The title compounds, Cu(L1)(C4H8NHO) and Ni(L2)(C4H8NHO) (H2L1 = 5-bromosalicylaldehyde-p-nitrobenzoylhydrazone, H2L2 = 5-bromosalicylaldehyde-p-hydroxybenzoylhydrazone), have been obtained and characterized by single-crystal X-ray diffraction. Complex 1 belongs to the triclinic system, space group P1 with a = 8.6960(2), b = 9.957(2), c = 11.878(2)A, α = 73.36(3), β = 78.25(3), γ = 82.64(3)°, V = 962.1(3) A^3, Mr= 512.81, Z = 2, F(000) = 514, Dc = 1.770 g/cm^3,μ(MoKα) = 3.251, R = 0.0337 and wR = 0.0846. Complex 2 is of monoclinic, space group P21/c with a = 13.313(2), b = 8.2096(1), c = 21.890(3) A,β = 125.737(3)°, V = 1941.9(4) A^3, Mr= 478.97, Z = 4, F(000) = 968, Dc = 1.638 g/cm^3,μ(MoKα) = 3.085, R = 0.0356 and wR = 0.0817. The ligands form a satisfactory N2O2 square plane around the metal centers in two compounds. Different patterns of hydrogen bonds are observed owing to the presence of different substituents on aromatic ring of the acylhydrazone Schiff bases. In complex 1, square-planar copper(Ⅱ) complexes are linked by intermolecular hydrogen bonds leading to zigzag infinite chains. In complex 2, the metal complexes are linked via hydrogen bonds to form corrugated sheets in a staggered fashion; 3D channels along the b axis are constructed through other non-covalent interactions between the neighboring layers.  相似文献   

12.
A new Zn(II) phosphonate complex, [Zn3(PhPO3)2(PhPO3H)2(Phen)2]n (Phen = 1,10-phenanthroline), has been synthesized and structurally determined by X-ray single-crystal diffraction. The complex crystallizes in the monoclinic system, space group C2/c with a = 14.997(3), b = 18.108(4), c = 17.237(3) A, β = 96.61(3)°, V = 4649.9(16) A3, Z = 4, C48H38N4O12P4Zn3, Mr = 1182.87, Dc = 1.690 g/cm3^,μ = 1.743 mm^-1, F(000) = 2400, the final R = 0.0363 and wR = 0.0963. In the structure, the connectivity between two 5-coordinated Zn(II) atoms and four phosphonates as well as two Phen ligands form a Zn2(PhPO3H)2(PhPO3)2(Phen)2 unit, and such a neighboring unit is bridged by 4-coordinated Zn(II) to give rise to a 1D chain along the c axis. The π-π stacking interactions between Phen rings assemble adjacent chains packed together to form a 3D supermolecular architecture.  相似文献   

13.
周馨慧  银秀菊 《结构化学》2011,30(2):180-185
The title complex 1,[Cd 4 Cu 2 (pdc) 4 (H 2 O) 14 ] (H 3 pdc=3,5-pyrazoledicarboxylic acid),has been solvothermally synthesized and structurally characterized by single-crystal X-ray diffraction.Complex 1 crystallizes in triclinic,space group P1 with a=0.67235(10),b=1.27935(18),c=1.28569(17) nm,α=112.633(2),β=102.971(3),γ=97.089(2)o,V=0.9673(2) nm 3,C 20 H 32 Cd 4 Cu 2 N 8 O 30,M r=1441.22,D c=2.474 g/cm 3,μ(MoKα)=3.356 mm 1,F(000)=698,S=1.003,Z=1,the final R=0.0471 and wR=0.0748 for I > 2σ(Ⅰ).In 1,two deprotonated 3,5-pyrazoledicarboxylic acids (pdc 3),one copper(Ⅱ) ion and one cadmium(Ⅱ) ion firstly form a pyrazole-bridged Cu II Cd II dinuclear unit,two of which related by an inversion center are connected by another two cadmium(Ⅱ) ions through chelating carboxylate groups to construct the copper(Ⅱ)-cadmium(Ⅱ) heterometallic hexanuclear complexes.Plenty of hydrogen bond interactions existing in the system further lead to a three-dimensional (3D) supramolecular framework.  相似文献   

14.
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   

15.
A new p-PhDTA bridged Cu(II) complex [Cu2(p-PhDTA)(DMSO)2]·4DMSO (p-PhDTA = p-phenylenediamine-N,N,N,N'-tetraacetic acid) has been synthesized and structurally characterized. The crystal belongs to orthorhombic, space group Pca21 with a = 19.572(4), b = 19.552(4), c = 10.156(2)A, C26H48N2O14CU2S6, Mr = 932.10, V = 3886.4(13)A3, Z = 4, Dc = 1.593 g/cm^3, F(000) = 1936, λ(MoKa) = 0.71073A,μ = 1.480, R = 0.0487 and wR = 0.1151 for 8464 observed reflections (I 〉2σ(I)). In the complex, the oxygen atoms of carboxylate of p-PhDTA connect the Cu atoms in a syn-anti type, giving one-dimensional chains which are further linked by the benzene groups ofp-PhDTA to form a novel two-dimensional structure.  相似文献   

16.
Hydrothermal reactions of three aromatic polycarboxylic acids and the transitional metal cations in the presence of phen and 1,4-bib afford three new coordination polymers: [Cd2(bpp)1.5(Hbpp)(phen)2]n (1), [Mn3(Htptc)2(phen)2(H2O)2]n (2), and {[Cu(btc)0.5(1,4- bib)]·2H2O}n(3) (H2bpp = 2,6-bis(4'-carboxyphenyl)-4-phenylpyridine, H4tptc = terphenyl-2,5,2',5'-tetracar- boxylic acid, H4btc =biphenyl-2,2',4,4'-tetracarboxylic acid, phen =1,10-phenanthroline, and 1,4-bib = 1,4-bis(1H-imidazol-1-yl)benzene). Their structures have been determined by single- crystal X-ray diffraction analyses, elemental analyses, IR spectra, and powder X-ray diffraction (PXRD) analyses. In compound 1, the CdII cations are linked by bpp2- to form one ladder structure, based on which a 3D network is constructed with the help of non-covalent interactions. The topology of 2 is a 3D (3,4,5)-connected framework with the Point Schl?fli symbol of (42.6)2(43.62.8)(45.64.8)2. Compound 3 shows an unprecedented 3D (4,4)-connected framework with the Point Schl?fli symbol of (64.82)2(65.8). Moreover, the luminescent property of 1 has been investigated.  相似文献   

17.
The title compound, [Cu3(dmpzm)4(μ-1,3-dca)2(dca)4]·2H2O (dmpzm = 1,1'-methylenebis(3,5-dimethyl-lH-pyrazole), dca = dicyanamide) 1·2H2O, was synthesized via the reaction of CuCl2·2H2O with dmpzm and Na(dca), and characterized by elemental analysis and IR spectra. 1·2H2O crystallizes in the monoclinic system, space group C2/m with a = 13.578(3), b = 16.769(3), c = 14.769(3) A, β = 104.10(3)° V = 3261.4(11) A^3, Z = 2, Dc = 1.466 g/cm^3, T = 153(2) K, C56H68N34O2Cu3, Mr = 1440.09, F(000) = 1490,μ(MoKa) = 1.040 mm^-1, S = 1.150, R = 0.0553 and wR = 0.1123 for 2744 observed reflections with I 〉 2σ(I). The central copper atom is chelated by two dmpzm ligands and coordinated by two bridging dca anions, forming a slightly distorted octahedral geometry. The two external copper atoms adopt a square-pyramidal coordination geometry, coordinated by one chelating dmpzm ligand and one bridging and two terminal dca anions. Two intermolecular hydrogen bonding interactions result in the formation of a 2D (4,4) hydrogen-bonded network.  相似文献   

18.
张雷  胡劲松  何杰 《结构化学》2013,(9):1297-1302
A two-dimensional(2D)coordination polymer{[Cd(bdc)(dpb)]·H2O}n(1)has been prepared by solvothermal reaction of 1,3-dipyridyl benzene(1,3-dpb)with deprotonated1,4-benzenedicarboxylate(H2bdc),and was characterized by elemental analysis,IR spectroscopy,and X-ray single-crystal diffraction.It crystallizes in the monoclinic system,space group C2/c with a=15.1839(12),b=20.7585(17),c=7.2989(6),β=117.3450(10)°,V=2043.5(3)3,C24H18N2O5Cd,Mr=526.81,Dc=1.712 g/cm3,F(000)=1056.0,μ=1.110 mm-1and Z=4.The neighboring Cd(II)ions link the bdc2-anions and 1,3-dpb to form an infinite 2D sheet,and such two2D sheets are interlocked with each other to form a 2D→2D sheet.Two groups of interlocked sheets are further linked together by intermolecularπ···πinteraction,giving a 3D supramolecular network.In addition,the fluorescence property of 1 was also studied.  相似文献   

19.
The synthesis and molecular structure of a new dinuclear copper(Ⅰ) complex [Cu(dppb)(NO 3)] 2 are reported.The compound crystallizes in the monoclinic system,space group P2 1 /n with a=12.830(3),b=10.899(2),c=19.666 (4),β=104.69(3)°,V=2660.1(9)3,Z=4,D c=1.378 g/cm 3,F(000)=1144,the final R=0.0600 and wR=0.0668 for 2951 observed reflections with I > 2σ(Ⅰ).The complex contains a folded Cu 2 P 4 core structure,with two Cu(Ⅰ) atoms being bridged by a pair of dppb ligands to form a 14-membered Cu 2 P 4 C 8 zigzag ring.The ligand sphere of each metal center is completed by a nitrate anion in a chelating fashion.  相似文献   

20.
The title complex, [Mn(DPPZ)(PZDC)(H2O)] 1 (DPPZ = dipyrido[3,2 -a:2',3'- c]phenazine and H2PZDC = pyrazine-2,3-dicarboxylic acid), has been hydrothermally synthesized and structurally characterized by X-ray single-crystal diffraction, elemental analyses, IR, TG- DTA and magnetic susceptibility measurement. It crystallizes in triclinic, space group P1^- with a = 6.6842(5), b = 7.5741(6), c = 20.5755(15)A, α = 90.1160(10), β = 97.0560(10), γ = 97.3350(10)°, V= 1025.16(13)A^3, Z = 2, MnC24H14N6O5, Mr= 521.35, Dc= 1.689 g/cm^3, F(000) = 530, μ(MoKa) = 0.699 mm^-1, R = 0.0366 and wR = 0.0810. Compound 1 contains one- dimensional chains which are further stacked through π-π interactions to form a 3D supramolecular architecture. The water molecule O(1W) is involved in hydrogen bonding interactions with symmetric carboxylate oxygen atom 0(4) at (x+ 1, y+1, z) and symmetric PZDC nitrogen atom N(6) at (1-x, 1-y, 1-z), which completes the structure of 1. Magnetic susceptibility measurement indicates that the compound behaves a weak antiferromagnetic exchange interaction.  相似文献   

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