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1.
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   

2.
A new copper(II) complex Cu2(L)a(2,2'-bipy)2(H2O)2 (1) has been synthesized with 2-benzoylbenzoic acid (HL) and 2,2'-bipyridin as ligands. The crystal belongs to a monoclinic system with space group Cc, a = 13.9979(II), b = 15.9888(13), c = 30.306(3) A, β = 100.8700(10)°, V= 6661.1(10) A3, Dc= 1.372 g/cm3, Z = 8, F(000) = 2840, the final GOOF = 1.018, R= 0.0685, and wR= 0.1731. There are two mononuclear Cu(L)2(2,2'-bipy)(H20) units in the crystal of 1. Each Cu(II) cation is coordinated by five atoms. The magnetic and fluorescent properties of 1 were studied. The results show that 1 exhibits weak paramagnetism, and when the excitation wavelength is at 616 nm, it has an intense fluorescent emission band around 482 nm.  相似文献   

3.
O-(p-tolyl)dithiophosphato nickel complex [Ni(S2P{O}OC6HaCH3-p)(dppv)] has been synthesized by the treatment of (dppv)NiCl2 (dppv = Ph2PCH=CHPPh2) with (p-CH3C6HaO)2P{S}SH'Et2NH in THF. The new complex was fully characterized by elemental analysis, IR, 1H NMR, 31p NMR spectroscopies and thermo-gravimetric analysis. The molecular structure of the complex was established by X-ray crystallography. The crystal crystallizes in monoclinic, space group P21/c with a = 9.2739(5), b = 17.8803(8), c = 20.1879(12) A, fl = 93.269(5), V = 3342.1(3) A3, Z = 4, C33H29NiO2P3S2, Mr = 673.30, Dc = 1.338 g/cm3, F(000) = 1392 and #(MoKa) = 0.877 rnm-l. The final R = 0.0578 and wR = 0.1045 for 4138 observed reflections with 1 〉 20(/) and R = 0.1050 and wR = 0.1204 for all data. The Ni centre atom adopts a NiP2S2 square-planar geometry with two phosphorus atoms from the dppv ligand and two sulfur atoms from the O-(p-tolyl)dithiophosphate ligand. The most interesting structural feature of the title complex resides in its 1D helical chain structure constructing via intermolecular C-H'"O secondary interactions along the b-axis. The adjacent helical chains running in opposite directions are connected into a 1D double-stranded helical chain and further linked into a 2D supramolecular network by weak C-H.--C interaction.  相似文献   

4.
A novel two-dimensional Mn(II) coordination polymer, [Mn3(L)R(cis-chdc)fftrans- chdc)]n (L = 2-amino-4-(1H-imidazo[4,5-J][1,10]phenanthrolin-2-yl)phenol and chdc = 1,4-cyclo- hexanedicarboxylate), has been hydrothermally synthesized and characterized by elemental analysis, IR, TG PL and single-crystal X-ray diffraction. Crystallographic data for this compound: monoclinic space group P2/n with a = 11.0058(13), b = 9.0179(11), c = 28.431(3) A, β = 92.850(2)°, V = 2818.3(6) A3, Z = 2, C62Hs6Mn3N10O14, Mr = 1329.99, Dc = 1.567 g/cm3, F(000) = 1370, p(MoKa) = 0.742 mm-1, R = 0.0553 and wR = 0.1421. The chdc carboxylates bridge the Mn(II) atoms to form a trinuclear Mn(lI) cluster. The cis-chdc ligands are held together by the trinuclear Mn(II) clusters to result in a chain structure. Further, the trans-chdc ligands link adjacent chains to furnish a two-dimensional network. The π-π interactions between neighboring layers link the adjacent layers into a three-dimensional supramolecular architecture. Moreover, the N-H...O and O-H...O hydrogen bonds further stabilize the 3D supramolecular architecture.  相似文献   

5.
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) A,β= 126.045(4)°, V= 2196.9(4)A^3, Z= 4, Dc = 1.618 g/cm^3, Mr = 535.02,μ = 1.141 mm^-1, F(000) = 1100, 2(MoKα) = 0.71073 A, 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   

6.
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   

7.
A chloro-bridged dinuclear copper(H) complex with ligand 2-pyridylme-thylene- furfurylamine has been synthesized and characterized by single-crystal X-ray diffraction, and its inhibitory activity on xanthine oxidase (XO) was also evaluated. It crystallizes in the triclinic system, space group P 1 with a = 8.0441(16), b = 8.5663(17), c = 10.060(2)A, α = 77.52(3), β = 72.04(3), γ = 70.12(3)°, V = 615.3(2)A^3, Z = 1, Dc = 1.731 g/cm^3, F(000) = 322, the final R = 0.0401 and wR = 0.0934 for 1971 observed reflections with I 〉 2σ(I). X-ray analysis reveals that the Cu(II) cation is five-coordinated by two N atoms of Schiff base and three Cl anions. The C-H…Cl intermolecular and intramolecular hydrogen bonds connect the molecules to form a three-dimensional network. This copper(II) complex shows more potent inhibitory activity against XO with IC50 = 3.48μM than the standard inhibitor allopurinol.  相似文献   

8.
A manganese(Ⅱ) complex (tataH)2[Mn(pydc)2]·4H2O (C20H28MBN14O12, Mr = 711.50, tata = 2,4,6-triamino-1,3,5-triazine, pydcH2 = pyridine-2,6-dicarboxylic acid) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the triclinic system, space group P1^-, with a = 9.9847(3), b = 10.9813(3), c = 15.2616(5)A, a = 101.5310(10), β = 90.2610(10), γ = 116.4600( 10)% V = 1459.44(8)A^3, Z = 2, Dc = 1.619 g/cm^3,μ = 0.539 mm^-1, F(000) = 734, the final R = 0.0292 and wR = 0.0745. In the crystal the Mnn atom is six-coordinated by four carbonyl oxygen atoms and two pyridine nitrogen atoms from two tridentate pydc ligands to furnish a distorted octahedral geometry. The complex shows the A…D…D'…A' H-bonded tetramer. The molecules are packed in a three-dimensional framework structure by the combination of O-H…O, N-H…O and N-H…N hydrogen bonds between (tataH)^+, [Mn(pydc)2]^2- and crystal water.  相似文献   

9.
A novel coordination polymer [Na2Pd(2,6-pydc)2(H2O)6]n (2,6-H2pydc = 2,6-pyridinedicarboxylic acid) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the monoclirtic system, space group P21/c, with a = 11.962(2), b = 6.5552(13), c = 12.673(3) A, β = 91.72(3)^o, V = 993.3(3) A^3, Z = 2, Mr = 590.68, Dc = 1.975 g/cm^3,μ = 1.059 mm^-1, F(000) = 592, the final R = 0.0211 and wR = 0.0454. In the crystal the Pd(II) ion adopts a distorted four-coordinated square-planar geometry and bonds to two bidentate 2,6-pyridinedicarboxylate molecules through caronyl oxygen and pyridine nitrogen atoms. The title complex exhibits a novel three-dimensional network structure.  相似文献   

10.
A novel palladium(II) complex [(TMEDA)Pd(anca)2].2DMSO (1, TMEDA = N,N,N',N'-tetramethylethylethylenediamine, anca = anthracene-9-carboxylic acid) was synthesized and characterized by single-crystal X-ray diffraction, 1H NMR, UV-Vis and fluorescence spectroscopy. The cell belongs to orthorhombic Aba2 space group with a = 19.698(7), b = 21.045(7) c = 9.062(3) A, Z = 4, V= 3757(2) A3, C40H46N206PdS2, Mr = 821.31, D, = 1.452 g/cm3, F(000) = 1704, the final R = 0.0272, wR = 0.0667 and GOOF = 0.999. Complex 1 exhibits an interesting distorted clip-shaped molecular configuration which is stabilized by intramolecular C-H...O hydrogen bonds. The cells are packed into a 3D supramolecular structure based on the intermolecular C-H...zr interactions which further construct the tubular channels serving as guest molecular channels to include the DMSO solvent molecules inside. Furthermore, the spectroscopic properties of 1 were also investigated.  相似文献   

11.
The title compound [Mn(O2CMe)2(phen)2] (phen = 1,10-phenanthroline) 1 has been synthesized and structurally determined by single-crystal X-ray diffraction. The crystal is of orthor- hombic, space group Pbcn, with a = 12.554(4), b = 10.168(3), c = 17.704(5)A, V= 2259.7(12)A^3 Z = 4, C28H22MnN4O4, Mr= 533.44, Dc= 1.568 g]cm^3, F(000) = 1100, Rint = 0.0242, T= 293(2) K and p = 0.631 mm^-1. The final R = 0.0687 and wR = 0.1960 for 2046 observed reflections with I 〉 20(/). The structure of the complex consists of one Mn(II) core coordinated by two bidentate-bound CH3COO^- groups and two η^2-phen groups forming an eight-coordinate geometrical configuration.  相似文献   

12.
The title compound, Co(L)2(CH3OH)2Cl2 (L = 3-(1,2,4-triazole-yl)-6-chloro-pyridazine) 1, has been synthesized and its crystal structure has been determined by X-ray analysis. Complex 1 crystallizes in the triclinic system, space group P1 with a = 6.018(3), b = 9.832(5), c = 9.921(5)A, a = 78.270(8), β = 74.550(8), γ = 83.807(8)°, V = 553.1(5)A^3, Z = 1, C14H16Cl4CoN10O2, Mr = 557.10, Dc = 1.673 g/cm^3, F(000) = 281,μ(MoKα) = 1.293 mm^-1, the final R = 0.0453 and wR = 0.1181 for 1539 observed reflections with I 〉 2σ(I). The Co(II) ion is in a distorted centrosymmetric six-coordinate octahedral environment with two Ntriazole, two Omethanol and two Cl atoms. Via hydrogen bonds the configuration of 1 has been extended into 1D chains which are developed to 2D layers via π-π sticking action, and these layers are further extended into a 3D network by hydrogen bonds. The antibacterial activity of the title compound has been detected, and the results show that the ligands and cobalt(II) complex exhibit certain fungicidal activity against several bacteria. Furthermore, the spectral properties of the title compound have been also studied and discussed.  相似文献   

13.
A new 2,2"-bipyridine adduct of bis(O,O'-di(2-phenylethyl)dithiophosphato) cadmium(II), [Cd{S2P(OCH2CH2Ph)2}2"bipy] (1, bipy -- 2,2"-bipyridine), was synthesized and characterized by elemental analyses, IR, UV-vis, 1H NMR, fluorescence spectroscopy, thermo-gravimetric analysis, and X-ray single-crystal diffraction. The crystal of 1 crystallizes in triclinic, space group P1 with a = 10.4607(19), b = 11.679(2), c = 18.480(3) A, a = 98.900(2), β = 103.321(2), ), = 91.779(2), V= 2165.2(7) A3, Dc = 1.447 g/cm3, Z = 2, C42H4404N2P2S4Cd, Mr = 943.37, F(000) = 968,μ = 0.814 mm-1, the final R = 0.0536 and wR = 0.1206 for 6275 observed reflections with 1 〉 2a(/) and R = 0.0690 and wR = 0.1339 for all data. The result shows that the Cd(1) centre is five-coordinated by two N and three S atoms in a highly distorted square pyramidal configuration. The C-H'"S hydrogen bonding interactions and a set of weak intermolecular r-r stacking between adjacent aromatic rings stabilize the structure and make 1 assemble into a 1D zig-zag chain. In addition, the antibacterial activities of 1 against Escherichia coli, Bacillus subtilis and Staphylococcus bacteria were also screened by disc diffusion method.  相似文献   

14.
A new compound has been synthesized under hydrothermal conditions and characterized by IR, elemental analysis, XPS and single-crystal X-ray diffraction analysis. The title compound [Mn(en)3]2en0.5[HV8VV8IVO38(CI)]·4.5H2O crystallizes in monoclinic, space group C2/c, with a = 17.016(4), b = 18.858(4), c = 18.872(4) A, β = 93.667(4)°, V = 6043(2)A3, Z = 4, Dc = 2.242 g/cm3, Mr = 2040.12, F(000) = 4020,μ = 2.895 mm-1, Rint = 0.0921, R = 0.0649 and wR = 0.1325. Single-crystal X-ray structure analysis indicates that the title compound consists of a polyanion [HV8VV8IVO38(CI)]4- cage, two [Mn(en)3]2^2+ cations, four and a half lattice waters and a half ethylenediamine. In addition, intermolecular O-H...N, O-H...O, N-H...O and C-H...O hydrogen bonds link the molecules together to form a three-dimensional structure.  相似文献   

15.
By use of a new ligand containing both salicylic acid moiety and salicylaldehyde Schiff base moiety, 5-(2-hydroxybenzylideneamino)-2-hydroxybenzoic acid (H3L), a linear trinuclear Mn(II) complex was prepared. This complex crystallizes in triclinic, space group P1 with a = 12.0196(7), b = 13.7440(13), c = 15.7554(14) , α = 111.529(3), β = 96.691(2), γ = 94.802(2)o, C96H100Mn3N6O32, Mr = 2014.64, V = 2382.0(3) 3, Z = 1, μ = 0.478, Dc = 1.404 g/cm3, F(000) = 1049, R = 0.0554 and wR = 0.1610 for 8973 observed reflections (I 2σ(I)). The complex consists of a trinuclear cluster and two solvate ethanol molecules. Three linearly disposed Mn atoms, with an inversion center on the central one, are bridged by six carboxylate groups from six bulky mono-anionic ligands (H2L–), and the octahedral coordination spheres for each of the metal centers are thus formed, with the aid of additional ligation of two small molecules (ethanol and water) to both ends. The magnetic properties of the title complex are also included in this paper.  相似文献   

16.
The title compound 4-(2-bromophenyl)-3,4,7,8-tetrahydro-7,7-dimethyl-1-p-tolylquinoline-2,5(1H,6H)-dione 1 (C24H24BrNO2, Mr = 438.35) was synthesized and characterized by IR, 1H NMR and elemental analysis. The crystal belongs to monoclinic, space group C2/c with a = 27.565(14), b = 10.079(5), c = 15.917(8) A,β = 111.059(9)°, Z = 8, V = 4127(4)A3, Dc = 1.411 g·cm^-3,μ(MoKa) = 2.011 mm^-1, F(000) = 1808, the final R = 0.0417 and wR = 0.1032 for 2393 observed reflections (I 〉 2σ(I)). X-ray analysis reveals that the pyridine ring adopts a distorted boat conformation, while another six-membered ring takes a half-chair conformation. In addition, there are non-classical hydrogen bonds of C-H…O and C-H…Br in the structure. The short distance (3.481A) between the adjacent 2-bromophenyl rings indicates the existence of π-π interaction.  相似文献   

17.
A POMs-based 3D zeolike ionic crystal 1, {[Co(dpdo)2(CH3CN)(H2O)2]2(SiMo12O40)- (HEO)2}n (dpdo = 4,4'-bipyridine-N,N'-dioxide), was constructed via self-assembly by embedding Keggintype [SiMo12O40]^4- polyanions within the intercrystalline voids as pillars and structurally characterized. The crystal structure was determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P1 with a = 11.430(3), b = 12.242(3), c = 14.279(3)A, α = 106.196(4),β = 94.316(4), γ = 98.294(3)°, V = 1884.5(7)A^3 Z = 1, C44H50N10O54CoEMo12Si, Mr = 2880.17, Dc = 2.538 g/cm^3, p = 2.484 mm^-1,F(000) = 1388, the final R = 0.0383 and wR = 0.1096 for 7753 observed reflections with I 〉 2σ(I). Flack factor is 0.22(3). Compound 1 is a pillar-layered framework with the [SiMo12O40]^4- anions linearly located on the square voids between the 2D bilayers which are formed by the dpdo ligands and cobalt(II) ions.  相似文献   

18.
The novel mixed-ligand neutral compound [Mo3O4(C2O4)2bipy-(H2O)3]·EtOH·2H2O(bipy = 2,2′-bipyridine) has been prepared by the reaction of oxalic acid elution of Mo(IV) and bipy, and characterized by single-crystal X-ray diffraction analysis and IR. The crystal is of triclinic, space groups P1^- with a = 9.5520(2), b = 10.3730(1), c = 13.5722(2)A, a = 74.940(12),β = 80.772(14),γ= 69.898(11)°, V = 1215.73(11)A^3, Z = 2, C16H24Mo3N2O18, Mr = 820.19, Dc = 2.241 g/cm^3,μ = 1.616 mm^-1, F(000) = 808, T = 293(2) K, the final R = 0.0424 and wR = 0.0939 for 4119 observed reflections with I 〉 2σ(I). The trinuclear unit is coordinated by mixed ligands of oxalate and bipy. The intermolecular hydrogen bonding interactions among adjacent [Mo3O4(C2O4)2·bipy(H2O)3] extend the compound into a three-dimensional supramolecular framework. The uncoordinated water molecules and ethal molecules act as space-fillers and consolidate the whole architecture through hydrogen bonding interactions.  相似文献   

19.
YANG  Ying-Qun ZHANG  Shao-Hua LI  Wei 《结构化学》2013,(11):1663-1666
A new Cd(II) complex [Cd(C12H6OaN2)(Phen)ffH2O)]'3H2O with 2,2"-bipyridine- 3,3"-dicarboxylic acid as a ligand has been synthesized. Crystal data for the title complex are as follows: monoclinic, space group P2dn, a = 12.8458(5), b = 17.9131(7), c = 15.2960(6) A, β = 111.7430(10)°, V = 3269.3(2) A3, Dc = 1.581 g/cm3, Z = 4,/a(MoKa) = 0.731 mm-1, F(000) = 1580, the R = 0.0244 and wR = 0.0605. In the title complex, the central Cd(ll) ion is located in a distorted octahedral coordination environment. The electrochemical and fluorescent properties of the title complex were studied. The results show that the electron transfer of the title complex is irreversible in the electrode reaction and it has a broad emission peak in the range of 470-508 nm with the excitation wavelength of 488 nm.  相似文献   

20.
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   

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