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1.
WANG Xiu-Yan  ZHANG Yan-Na  LI Dan 《结构化学》2012,31(11):1589-1593
A novel Fe(Ⅱ) coordination polymer [Fe(L)(trans-1,4-chdc)]n has been hydrothermally synthesized by using 1,4-cyclohexanedicarboxylic acid (1,4-H 2 chdc) and 2-(2-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (L). Crystallographic data: monoclinic, space group C2/c with a=14.571(5), b=32.389(6), c=10.948(5) , β=115.186(5)°, V=4676(3)3 , Z=8, C27H21FFeN4O4 , Mr=540.33, Dc=1.535 g/cm3 , F(000)=2224, μ(MoKa)=0.697 mm-1 , R=0.0462 and wR =0.1110. The two kinds of trans-1,4-chdc ligands link neighboring Fe(Ⅱ) atoms to yield a two-dimensional layer structure. The π-π interactions between the L ligands of neighboring layers result in a three-dimensional supramolecular architecture. The IR and UV-vis spectra of the compound have been investigated in detail.  相似文献   

2.
A new 3D Pb(Ⅱ) coordination polymer [Pb2(L)2(dea)]n·nH2O has been hydrothermally prepared by using the long flexible decanedioic acid (H2dea) and the N-donor chelating ligand 2-(1H-l,3,7,8-tetraazacyclopenta[l]phenanthren-2-yl)naphthol (HL). Single-crystal X-ray determi- nation shows that the complex crystallizes in the monoclinic system, space group C2/c with a = 25.453(5), b = 7.5035(15), c = 27.340(6),β= 114.84(3)°, V = 4738.6(16)3, Z = 8, C28H22N4O4Pb, Mr = 685.69, Dc = 1.922 g/cm3, F(000) = 2656, μ(MoKa) = 7.166 mm-1, R = 0.0282 and wR = 0.0687. Two L ligands bridge two Pb(Ⅱ) atoms to form a dimmer, and the neighboring dimers are further linked by the dea ligands to yield a 3D structure. The IR and TG of the compound have been investigated in detail.  相似文献   

3.
A new one-dimensional Ni(II) coordination polymer [Ni(L)(cis-1,4- chdc)]n?1.25nH2O has been synthesized under hydrothermal conditions by using 1,4-cyclohexanedicarboxylic acid (1,4-H2chdc) and 2-(3-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline (L). Crystallographic data for the compound: triclinic, space group P with a=8.777(2), b=10.662(2), c=13.799(3), α=89.480(4), β=73.933(3), γ=81.980(4)°, V=1228.2(5)3, Z=2, C27H22.50FN4NiO5.25, Mr=568.70, Dc=1.527 g/cm3, F(000)=583, μ(MoKa)=0.846 mm-1, R=0.0634 and wR=0.1465. Neighboring Ni(II) atoms are linked by the cis-1,4-chdc ligands to generate a one-dimensional chain structure. The π-π interactions between the L ligands of neighboring chains led to the formation of a two-dimensional supramolecular layer. The elemental analysis, IR spectrum and TG of the compound have been studied.  相似文献   

4.
A new coordination polymer,[Mn(L)(1,4-bdc)] (L=11-fluoro-dipyrido[3,2-a:2,3-c]phenazine,1,4-bdc=benzene-1,4-dicarboxylate),has been synthesized through the hydrothermal method and characterized by elemental analysis,IR and single-crystal X-ray diffraction.It crystalli-zes in triclinic,space group P1 with a=9.7544(9),b=10.8254(10),c=11.5288(10),α=114.1300(10),β=96.6110(10),γ=105.0390(10)°,V=1038.62(16)3,Z=2,C 26 H 13 FMnN 4 O 4,M r=519.34,D c=1.661 g/cm 3,F(000)=526,μ(MoKa)=0.691 mm-1,R=0.0405 and wR=0.0977.The 1,4-bdc dianions link the neighboring Mn(II) atoms to yield a two-dimensional layer structure.The L ligands are attached on both sides of the layer.The π-π interactions between the L ligands of neighboring layers result in a three-dimensional supramolecular architecture.  相似文献   

5.
A new 1D coordination polymer, [Pb(L)(cis-1,4-chdc)]·0.5H2O (cis-1,4-chdc = 1,4-cyclohexanedicarboxylate and L = 2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline), has been synthesized under hydrothermal conditions and characterized by elemental analysis, TG and single-crystal X-ray diffraction. It crystallizes in triclinic, space group P1 with a = 9.153(5), b = 10.338(5), c = 13.074(5), α = 80.956(5), β = 89.725(5), γ = 80.534(5)°, V = 1204.8(10)3 , Z = 1, C54H44F2N8O9Pb2 , Mr = 1401.35, Dc = 1.931 g/cm3 , F(000) = 678, μ(MoKa) = 7.055 mm-1 , R = 0.0277 and wR = 0.0559. Each cis-1,4-chdc anion coordinates with two Pb(Ⅱ) atoms in a bis-chelating coordination mode. In this way, cis-1,4-chdc anions bridged the neighboring Pb(Ⅱ) atoms to generate a 1D chain structure. The L ligands from neighboring chains are paired through the strong π-π interactions to generate a fascinating 2D supramolecular layer.  相似文献   

6.
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   

7.
孔治国  张艳娜  刘福义 《结构化学》2013,32(8):1175-1179
A new 1D coordination polymer, [Cd2(L1)2(L2)2]·H2O (1, H2L1 = 4-(carboxy-methoxy)benzoic acid and L2 = 2-(4-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline), has been hydrothermally synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. It crystallizes in triclinic, space group Pī with a = 9.985(5), b = 10.768(5), c = 12.512(5), α = 68.959(5), β = 80.354(5), γ = 79.663(5)°, V = 1227.4(10) 3, Z = 1, C56H36Cd2F2N8O11, Mr = 1259.73, Dc = 1.704 g/cm3, F(000) = 630, μ(MoKa) = 0.949 mm-1, R = 0.0261 and wR = 0.0655. The L1 anions link the neighboring Cd(II) atoms to form a 1D double chain structure. The L2 ligands are alternately located on both sides of the double chains. More interestingly, the lateral L2 ligands from adjacent double chains are paired to furnish strong π-π interactions, yielding a 2D supramolecular layer. N-H···O, O-H···N and O-H···O hydrogen bonds further stabilize the structure of 1. The luminescent property of 1 was studied in solid state at room temperature.  相似文献   

8.
陈爱香  刘罡  李辉  王吉德  岳凡 《结构化学》2010,29(2):177-180
A novel two-dimensional coordination polymer [Ba2(phen)4(tp)2]n(phen=1,10-phenanthroline,tp=terephthalic acid) has been synthesized with tp as bridge ligands and structurally determined by X-ray crystallography.The crystal belongs to the monoclinic system,space group C2/c,with a=18.877(4),b=18.489(4),c=15.658(3),β=103.61(3)o,V=5311.5(19)3,C32H20O4N4Ba,Mr=661.86,Z=8,F(000)=2624,μ=1.542mm-1,Dc=1.655 g/cm3,the final R= 0.0228 and wR=0.0554 for 6063 observed reflections(I2σ(I)).The structural analysis shows that each tp ligand bridges barium atoms to form a two-dimensional infinite layer.There are aromatic π-π stacking interactions between neighboring layers,and aromatic π-π interactions further extend such layers into a three-dimensional supramolecular framework.  相似文献   

9.
The title coordination polymer, [Pb(L)(1,4-ndc)] 1 (L = 2-(4-fluorophenyl)-1Himidazo[4,5f1,10]phenanthroline, 1,4-ndc = naphthalene-1,4-dicarboxylic acid), has been obtained by using hydrothermal synthesis and characterized by elemental analysis, IR and singlecrystal X-ray diffraction. It crystallizes in monoclinic, space group P21/c with a = 10.1043(11), b = 14.3162(15), c = 17.6061(18), β = 95.3990(10)°, V = 2535.5(5)3, Z = 4, C31H17FN4O4Pb, Mr = 735.68, Dc = 1.927 g/cm3, F(000) = 1416, μ(MoKa) = 6.709 mm-1, R = 0.0201 and wR = 0.0489. The 1,4-ndc dianions link neighboring Pb(II) atoms in a bis-chelating mode, yielding a one-dimensional chain structure along the c axis. The C–H···π interactions between the carbon atom of L ligand and the benzene ring of 1,4-ndc lead the one-dimensional chains to form a two-dimensional supramolecular layer. The π-π interactions between L ligand and 1,4-ndc ligand make the two-dimensional layers generate a three-dimensional supramolecular architecture. Additionally, the N–H···O hydrogen bonds further stabilize the structure of 1.  相似文献   

10.
A chain-like coordination polymer with the chemical formula of {[Ni2Mn2L2(CH3CH2OH)-(H2O)]·CH3OH·2H2O}n has been synthesized by the assembly reaction of K2NiL·H2O and Mn(OAC)2·4H2O with a 1:1 mole ratio in methanol,where OAC-=CH3COO-and H4L=2-hydroxy-3-[(E)-({2-[(2-hydroxybenzoyl)imino]ethyl}imino)methyl]benzoic acid.The crystal structure was determined by single-crystal X-ray diffraction analysis.It belongs to the triclinic system,space group P1,with a=9.9464(8),b=13.4718(11),c=14.3877(12),α=87.1930(10),β=85.4280(10),γ=74.6470(10)°,V=1852.4(3)3,Z=2,Dc=1.807g/cm3,Mr=1008.03,λ(MoKα)=0.71073,μ(MoKα)=1.794 mm-1,F(000)=1032,R=0.0527 and wR=0.1284(Ⅰ2σ(Ⅰ)).The compound exhibits a chain-like structure formed by dissymmetrical tetranuclear units.  相似文献   

11.
王秀艳  刘福义  孔德玉 《结构化学》2014,33(10):1495-1498
A new dimeric compound, [Zn(bpdc)(L)]2·4H2O(1, L = 11-fluoro-dipyrido[3,2-a:2',3'-c]phenazine and bpdc = 1,1'-biphenyl-2,2'-dicarboxylate), has been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. It crystallizes in monoclinic, space group C2/c with a = 23.671(5), b = 22.547(5), c = 13.741(3), β = 123.47(3)o, V = 6118(2) 3, Z = 4, C66H44Cl2F2N8O12Zn2, Mr = 1380.73, Dc = 1.499 g/cm3, F(000) = 2816, μ(MoKa) = 0.949 mm-1, R = 0.0572 and wR = 0.1620. In 1, Zn1 and the symmetry formed Zn1 ions are connected by four bridging bidentate carboxylate groups from two independent bpdc anions to yield a binuclear unit with the Zn···Zn separation by bpdc anions of 4.168. Two L ligands are located on both sides of the dimer in chelating bidentate modes. The lateral L ligands from neighboring dimers are paired through strong π-π interactions to result in a fascinating 1D ladder-like supramolecular array. In addition, neighboring supramolecular ladders are packed each other to yield a 3D supramolecular architecture with a 1D channel.  相似文献   

12.
王凤武  魏亦军  朱其永 《结构化学》2007,26(11):1327-1331
A Schiff base zinc(Ⅱ) complex [Zn(C12H16BrClN2O)2(NCS)2] was prepared and characterized by elemental analysis,IR and single-crystal X-ray diffraction. The crystal belongs to the triclinic system,space group P1 with a=8.414(1),b=9.124(1),c=22.212(3),α=79.177(2),β=86.296(2),γ=89.899(2)o,V=1671.3(4)3,Z=2,Dc=1.631 g/cm3,Mr=820.79,λ(MoKα)= 0.71073,μ=3.444 mm-1,F(000)=824,R=0.0646 and wR=0.1179. A total of 7371 unique reflections were collected,of which 3904 with I > 2σ(I) were observed. The complex crystallizes with two half-molecules per asymmetric unit and each mononuclear molecule is centrosymmetric. The Zn atom lying at the inversion centre is six-coordinated in a slightly distorted octahedral geometry by two phenolate O atoms and two imine N atoms from two Schiff base ligands,as well as two N atoms from two thiocyanate anions. In the crystal structure,the combination of π-π stacking interactions and intermolecular hydrogen bonds (N–H…Br,N–H…O,N–H…N,C–H…O,C–H…S and C–H…Cl) leads to a three-dimensional network.  相似文献   

13.
万重庆  王志玮  厉爱民  邓玉恒 《结构化学》2012,31(11):1594-1600
The title complex, [Co(DprS)2 (H2O)2]2(BF4)4 (DprS is di-2-pyrimidinyl sulfide), was obtained and characterized by elemental analysis, FT-IR and X-ray crystallography. The complex crystallizes in space group P21/c with a=11.742(1), b=22.439(2), c=20.538(2) , β=109.713(5)°, Z=4, V=5094.3(3)3 , Dc=1.692 g·cm-3 , μ=0.929 mm-1 , F(000)=2600, R=0.0756 and wR=0.1929. The asymmetric unit of the title complex is comprised of two isomeric cobalt(Ⅱ) centers (Co(1) and Co(2)) with a cis-[Co(DprS)2(H2O)2]2+ moiety. Each Co(Ⅱ) center exhibits a similar distorted N4O2-octahedral coordination geometry surrounded by a pair of DprS in a N,N’-chelate mode and two aqua ligands in a cis-relationship. Unconventional S···π(pyrimidinyl), N···π(pyrimidinyl), and anion(BF4-)···π(pyrimidinyl) are found to combine with the C H···F and O H···F interactions to stabilize a whole three-dimensional framework with the mononuclear units (Co(1) and Co(2)). The ligand conformation will be also discussed.  相似文献   

14.
Complex [Zn(L)(SO4)]·0.5H2O (L= 2-(2-chloro-6-fluorophenyl)-1H-imidazo[4,5-f][1,10]phenanthroline) has been synthesized under hydrothermal conditions. The compound was characterized by elemental analysis, IR, TG and single-crystal X-ray diffraction. It crystallizes in monoclinic, space group P21 /n with a = 9.9916(7), b = 12.3834(9), c = 29.259(2) , β = 97.7720(10)°, V = 3587.0(4)3 , Z = 2, C76H41Cl4F4N16O9S2Zn2 , Mr = 1734.91, Dc = 1.606 g/cm 3 , F(000) = 1754, μ(MoKa) = 0.959 mm -1 , R = 0.0492 and wR = 0.1385. The asymmetric unit of 1 contains one Zn(II) atom, two L ligands, one sulfate anion and half a water molecule. Each Zn(II) atom is five-coordinated by four nitrogen atoms from two different L ligands and one sulfate oxygen atom in a tetragonal pyramidal coordination environment. The N-H···O hydrogen bonds link the discrete structure of 1 into a 2D supramolecular architecture. The photoluminescent property of 1 has also been studied in the solid state at room temperature.  相似文献   

15.
With an aim to discover novel AHAS inhibitors,the title compound (S)-ethyl-2(2-methoxy-phenylsulfenamido)-3-(1H-indol-3-yl)propanoate (C 21 H 22 N 2 O 4 S,M r=398.47) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis.The crystal belongs to orthorhombic,space group P2 1 2 1 2 1 with a=8.078(2),b=12.824(4),c=18.788(6),V=1946.2(10) 3,Z=4,F(000)=840,D c=1.360 mg/m 3,μ=0.197 mm-1,the final R=0.0433 and wR=0.1035 for 3075 observed reflections with I > 2σ(Ⅰ).The absolute structure Flack parameter X of this compound is 0.00(8).A total of 14375 reflections were collected,of which 3431 were independent (R int=0.0437).X-ray analysis reveals that the crystal structure involves two intermolecular N-H···O and one N-H···S intermolecular hydrogen bonds with the neighboring molecules.The crystal structure was compared with our previously reported (S)-methyl 2-(4-R-phenylsulfonamido)-3-(1H-indol-3-yl)propanoate (R=H(1) and Cl(2)),which provided some useful information of these compounds.  相似文献   

16.
N-[2-(4-chlorophenyl)-1-(1-methylcarbamoyl-2-phenyl-ethylcarbamoyl)-3-phenyl-cyclopropyl]benzamide,C33H30ClN3O3,has been synthesized and characterized by IR,1H NMR,13C NMR and single-crystal X-ray diffraction.The crystal is of triclinic,space group P1 with a = 11.646(2),b = 13.795(3),c = 14.559(3),α = 76.422(4),β = 78.028(4),γ = 74.500(4)°,V = 2164.6(7)3,Z = 3,Mr = 552.05,Dc = 1.270 g/cm3,λ = 0.71073 ,μ(MoKα)= 0.171 mm–1,F(000)= 870,the final R = 0.0469 and wR = 0.0805 for 5554 observed reflections with I > 2σ(I).The N–H and oxygen atoms are involved in one-dimensional intermolecular hydrogen bonds,which further stabilize the structure.  相似文献   

17.
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   

18.
A new bis(imidazolium) compound,[H2L(H2btec)2]·H4btec(1,L=1,1'-(butane-1,4-diyl)bis(imidazole),H4btec=1,2,4,5-benzenetetracarboxylatic acid),has been synthesized and structurally characterized by single-crystal X-ray diffraction.The title compound crystallizes in the monoclinic system,space group Pnma,with a=13.3908(11),b=13.9249(12),c=16.2166(14),V=2957.6(4)3,Z=4,Mr=698.55,Dc=1.569 mg/m3,F(000)=1448,μ(MoKα)=0.130 mm-1,the final R=0.0584 and wR=0.1538 for 4295 observed reflections with I2σ(I).The compound consists of one 1,1'-(butane-1,4-diyl)bis(imidazolium) cation,one neutral H4btec and one H2btec2-(Only two para carboxyl groups are deprotonated,and two protonated ones remain free) anion.A one-dimensional hydrogen bonding chain and a 2D hydrogen bonding network are formed via intermolecular N-H…O and O-H…O hydrogen bonds.These adjacent chains are further stacked through intermolecular π-π and hydrogen bonding interactions to form a 3D supramolecular network.  相似文献   

19.
The title compound, 5-(1H-benzoimidazol-2-yl)-3H-[1,2,3]triazole-4-carboxylic acid (C10H7N5O2·C3H7NO, Mr=302.30), has been synthesized and characterized by FT-IR and ESI-MS, 1 H-NMR spectroscopy and X-ray single-crystal diffraction. Crystal structure of the title compound was grown from DMF by slow diffusion at room temperature. Crystal data: orthorhombic structure, space group Pna21 with a=6.9635(3), b=19.4398(7), c=30.6165(12), V=4144.5(3)3, Z=12, Dc=1.454 g/cm 3, μ(MoKα)=0.108 mm-1, and F(000)=1896. The structure was refined to R=0.0450 and wR=0.0975 for 3578 observed reflections with I>2σ(I). The intermolecular hydrogen bonds and π-π stacking further stabilize the structure.  相似文献   

20.
A new complex, [Ni(L)2]·2(H2O) I (HL = 2-iminomethyl-6-methoxyphenol), has been synthesized and structurally determined. The crystal belongs to the trigonal system, space group R3- with a = 1.9341 (3), b = 1.9341 (3), C = 1.2048(2) nm, V = 3.9029(11) nm^3, Mr = 395.05, Z = 9, Dc = 1.513 g·cm^-3, F(000) = 1854,μ= 1.153 mm^-1 and S = 1.014. Each Ni^Ⅱ atom is four-coordinated by two N and two O atoms from two different L anions to give a slightly distorted square-plane geometry. The complex forms a 3-D network structure through N-H...O and O-H...O hydrogen bonds containing an interesting six-membered water ring.  相似文献   

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