首页 | 本学科首页   官方微博 | 高级检索  
相似文献
 共查询到20条相似文献,搜索用时 237 毫秒
1.

Abstract  

A novel coordination polymer with 4-sulfonyl-2,6-naphthalenedicarboxylic acid (H3SNDC), {[Cd3(NDSC)2(H2O)10]·6H2O}n (1), has been prepared and characterized by single-crystal X-ray diffraction. The title compound crystallizes in the monoclinic system, space group P21/c with a = 12.324(4), b = 22.572(7), c = 7.1472 ?, β = 91.469(5)°, V = 1987.4(11) ?3. In the structure, the ligands use the carboxylate groups to connect Cd(II) ions into 1D chains, and the chains are linked into 2D undulated layers through the coordination of the sulfonate groups to additional Cd(II) ions. The compound exhibits two distinct weight loss steps due to the release of all water molecules and the decomposition of the SNDC ligand, and it displays photoluminescence around 448 nm, which is blue-shifted compared with the ligand.  相似文献   

2.

Abstract  

A hydrogen-bonded 3D network [Mn(H2O)2(nbdc)]n, 1 H2nbdc = 2-aminoterephthalic acid) crystallizes in the monoclinic, space group P21/c, a = 9.6418(6), b = 6.4491(4), c = 15.3216(9) ?, β = 95.792(1)°, Z = 4 and displays unusual coordination mode (Mn–N (from nbdc), 2.275(3) ?). In the structure of 1, the Mn2+ ions are connected with μ2-carboxylates to form left handed and right handed chiral helix chains (–Mn–O–C–O–)n, which are connected by nbdc ligands to form 2D sheet along b axis, then these 2D sheets are further linked together through Mn–OH2···O (from μ2 carboxylate) –Mn hydrogen–bonds to construct the 3D network.  相似文献   

3.
Abstract  The title compound, [CdCl2(C5H6N2OS)] n , crystallizes in the polar space group R3c with the crystal cell parameters a = 23.363(3) ?, c = 9.5560(19) ?, V = 4,478.4(13) ?3 and Z = 18. Each cadmium is coordinated to four bridging chloro ligands, the carbonyl oxygen and the terminal nitrogen atom of a 2-thenoylhydrazine ligand. The chelating coordination by the latter moiety implies a distorted cis octahedral arrangement around the metal center. The resulting helical polymer chains in the direction of the crystallographic c axis are cross-linked by the N–H···O hydrogen bonds to a three-dimensional network. Index Abstract   catena-Bis(μ-chloro)-(κ-O, κ-N-{2-thenoylhydrazine})-cadmium(II) crystallizes in the polar space group R3c as a helical polymer which expands along the c axis.  相似文献   

4.

Abstract  

The title compounds C7H8ClN3O2S, (I), and C9H10ClN3O4S2, (II), both crystallize in monoclinic space group P21 /c with unit cell parameters (I) a = 7.9402(7), b = 10.6312(9), c = 11.7626(10), ?, β = 99.271(5)°, Z = 4 and (II) a = 5.1439(2), b = 9.0636(4), c = 27.1814 (7), ?, β = 95.116(2)°, Z = 4. In (I) the molecule consists of a 5-pyridine-4-yl group bonded to the carbon atom at the 5 position of (1, 3, 4) oxadiazole-2 thione hydrochloride monohydrate. The angle between the mean planes of the oxadiazole and pyridine rings is 9.6(6)°. Crystal packing in (I) is stabilized by strong N–H···O hydrogen bonds in concert with a solvent water molecule and weak O–H···Cl, O–H···S, N–H···Cl intermolecular interactions. The crystal structure of compound (II) consists of 4 [5-ethylsulfanyl)-(1, 3, 4) thiadiazole-2-yl]-pyridinium perchlorate, (C9H10N3S2)+(ClO4), cation–anion pairs, containing strong intermolecular N–H···O hydrogen bonds and weak C–H···O and N–H···O intermolecular interactions operating between the ionic species that form a cooperative hydrogen-bonded, infinite chain O–H···O–H···O–H network which generates a sheet motif structure in the unit cell. It is also supported by weak intermolecular Cg···Cg π–π and Cl–O···Cg π-ring interactions which gives additional support to molecular packing stability in the unit cell. Geometry optimized MOPAC AM1 computational calculations on each compound provides support to the structural features in their respective crystal structures.  相似文献   

5.

Abstract  

The compound [Ni(RPOEt)2(C2H5OH)2](ClO4)2 (1) [RPOEt = bis{(diphenylphosphinyl)methyl}ethyl phosphinate] has been prepared in the form of single crystals and characterized by elemental and thermal analyses, IR spectroscopy and by a single crystal X-ray diffraction study. The complex crystallizes in the triclinic P[`1] P\bar{1} space group with a = 9.8773(5), b = 13.741(1), c = 14.287(1) ?, α = 64.313(9), β = 70.280(5), γ = 89.973(7)o, V = 1620.5(2) ?3, and Z = 1. The nickel(II) atom in 1, situated at the centre of symmetry, is coordinated by four oxygen atoms from two RPOEt ligands and two oxygen atoms from two ethanol molecules in a slightly distorted octahedral environment. The third phosphoryl-oxygen atom from the phosphinate ligand is hydrogen bonded to the oxygen atom of the ethanol molecule coordinated to nickel(II). The complex [Ni(RPOEt)2(C2H5OH)2]2+ cations are linked by the C–H···O hydrogen bonds into one-dimensional chains and by the composite π···π and C–H···π phenyl interactions into a final three-dimensional structure.  相似文献   

6.

Abstract  

A 2D supramolecular compound [Co(phth)(phen) (H2O)3]·H2O has been synthysized by the reactions of Co(NO3)2·6H2O, 1, 10-phenanthroline(phen) and phthalate acid(H2phth) in NaOH solution with pH 7.0.The complex has been characterized by elemental analysis, IR, and single-crystal X-ray diffraction analysis which shows it belongs the monoclinic space group P2(1)/n, a = 7.571(2) ?, b = 13.737(3) ?, c = 20.015(4) ?, β = 95.56(1)°. V = 2071.9(8) ?3, Mr = 475.31, Dc = 1.524 g/cm−3, Z = 4, F(000) = 980, μ(MoKa) = 0.879 mm−1. The final R1 and wR2 are 0.0348 and 0.0711, respectively. The cobalt(II) ion is six-coordinated in a distorted octahedron to form a unit. Every unit is connected by hydrogen bonds forming 1D chain and 2D supramolecular network by π–π stacking interaction between adjoining chains.  相似文献   

7.
A ytterbium coordination polymer, {[Yb2(OH)2(atpt)2]·0.5H2O} n , (atpt = 2-aminoterephthalate) was synthesized by using the reaction of YbCl3·6H2O with 2-aminoterephthalic acid under hydrothermal condition and structurally characterized by single-crystal X-ray diffraction method. The Yb(III) complex crystallizes in the monoclinic system P2/c with a = 13.1306(9) ?, b = 7.8049(5) ?, c = 21.5601(12) ?, β = 111.481(3)°, V = 2056.1(2) ?3, Z = 4. There are two crystallographically independent Yb3+ ions in the crystal, in which one is seven-coordinate, the other is eight-coordinate, and both of them are in oxygen environments. The ligand atpt adopts two coordination modes, bis(bridging bidentate) and bis(chelating and bridging tridentate). In addition, every hydroxyl group adopts μ3-O mode linking three Yb3+ ions. It is through the linkage of atpt and hydroxyl group that ytterbium ions are linked together to form a 3-D structure with an open metal–organic framework.  相似文献   

8.

Abstract  

Two pyridinecarboxylato-bridged coordination polymers[Ni(pbc)2(H2O)2]n(1) and {[Ni(pbc) 2 (H2O)]·H2O}n (2)(Hpbc = 3-Pyrid-3-ylbenzoic acid) have been synthesized by the hydrothermal method and characterized by elemental analysis, IR spectrum and single crystal X-ray diffraction. Compound 1 crystallizes in monoclinic, space group P21/c with a = 9.519(5) ?, b = 9.417(5) ?, c = 11.701?, β = 98.086(5)°, V = 1038.5(9) ?3, Z = 2. Compound 2 crystallizes in monoclinic, space group P21/c with a = 10.490(2) ?, b = 12.920(3) ?, c = 16.074?, β = 95.97(3)°, V = 2166.7(8) ?3, Z = 4. X-ray diffraction analysis reveals that all pbc ligands act as diconnectors to link two Ni(II) centers and adopt one coordination mode: μ2−N, O in compound 1 and the ligands adopt two coordination modes: μ 2 −N, O and μ 3 − N, O, O in compound 2.  相似文献   

9.

Abstract  

Two new metal complexes supported by {VO3}n n− chains, [M(dpa)V2O6] (1, M = Zn2+; 2·H2O, M = Cu2+; dpa = 2,2′-dipyridylamine), have been synthesized hydrothermally and characterized by elemental analysis, TG analysis, IR spectroscopy and single-crystal X-ray diffraction. Crystal data: [Zn(dpa)V2O6] 1, Triclinic, P-1, a = 9.663(7) ?, b = 10.617(7) ?, c = 15.114(10) ?, α = 105.678(10)°, β = 104.772(9)°, γ = 94.021(10)°, Z = 2; [Cu(dpa)V2O6]·H2O 2·H2O, Monoclinic, C2, a = 20.543(3) ?, b = 7.2460(9) ?, c = 10.4853(13) ?, β = 111.318(2)°, Z = 4. Complex 1 is constructed from sinusoidal {VO3}n n− chains with {Zn(dpa)}2+ fragments spanning the adjacent troughs and crests into an 1D ribbon-like structure. Complex 2 is built up by linking {VO3}n n− chains via pairs of symmetrical {Cu(dpa)}2+ fragments into a 2D layered structure. The Zn(II) and Cu(II) ions exhibit tetrahedral and square pyramidal coordination environments, respectively. The formation of the two isomers is attributed to the flexibility of {VO3}n n− chains and the different coordination configurations of the two metal ions. There exist significant π–π stacking and hydrogen bonding interactions in complexes 1 and 2.  相似文献   

10.

Abstract  

A new nickel(II) complex formulated as, trans-[Ni(amp)2(SCN)2(H2O)2]·2H2O (1), (amp = 2-aminopyrimidine) has been synthesized and characterized by elemental analysis, IR spectroscopy, its molecular and crystal structures were determined by X-ray crystal structure analysis and its thermal stability by TGA/DTA methods. 1 is a neutral complex and the central atom sits on an inversion center and is coordinated by two endocyclic nitrogen atoms of two 2-aminopyrimidine heterocycles, two oxygen atoms of two water molecules and two nitrogen atoms of SCN ions. 2-aminopyrimidine molecules, thiocyanate ions and water molecules are in trans position. Thermal methods confirm two co-crystallized water molecules in 1. π–π stacking interactions and extensive O–H···O, O–H···N, O–H···S and N–H···N hydrogen bonds contribute to the formation of a three-dimensional supramolecular structure. Crystal data for complex at 120 K: triclinic, space group P-1, a = 7.2026(14), b = 7.8332(15), c = 9.0270(17) ?, α = 67.694(3), β = 72.732(4), γ = 77.012(4), Z = 1, R 1 = 0.0323.  相似文献   

11.
Abstract  A novel aromatic polycarboxylate polymer, [Zn2(bipy)2(btec)(H2O)2]n (1), has been synthesized and structurally characterized by the single crystal X-ray diffraction. Compound 1 belongs to the triclinic crystal system, space group P-1; a = 7.7449(6) ?, b = 8.9286(8) ?, c = 10.7422(8) ?, α = 80.95(1)°, β = 70.21(1)°, γ = 78.14(1)°, V = 680.93(10) ?3, Z = 2. The coordination geometry of Zn(II) atom is distorted trigonal bipyramidal with two nitrogen atoms of one 2,2′-bipy group, two oxygen atoms from two different btec ligands, and one water. The 16-membered rings are alternately arranged forming an infinite 1-D double-chain structure. A 3-D network was constructed by interlayer C···H–O, O···H–O hydrogen bonds and π–π stacking interactions. Compound 1 exhibits fluorescence at room temperature in the solid state. Graphical Abstract  A 1-D double-chain aromatic polycarboxylate polymer, [Zn2(bipy)2(btec)(H2O)2]n (1), has been synthesized and structurally characterized by the single crystal X-ray diffraction. A 3-D network was constructed by intermolecular C···H–O, O···H–O hydrogen bonds and π–π stacking interactions. Compound 1 exhibits fluorescence at room temperature in the solid state.   相似文献   

12.

Abstract  

A new coordination polymer [Ni2(L)(H2btec)]n, (1) was obtained from the reaction of NiSO4·6H2O, macrocyclic ligand 3,6,9,17,20,23-hexaaza-29,30-dihydroxy-13,27-di-tert-butyl-tricyclo[23,3,1,111,15]triaconta-1(28),11,13,15(30),25,26-hexaene (H2L), and 1,2,4,5-benzenetetracarboxylic acid (H4btec) in methanol. Its structure was determined by X-ray diffraction analysis. The crystal is monoclinic C2/c space group with cell parameters a = 20.4923(3) ?, b = 14.2389(3) ?, c = 14.5130(2) ?, β = 97.441(2)°, V = 4199.05(12) ?3, and Z = 8. The X-ray analysis shows that each Ni (II) cation is six-coordinated by an O3N3 donor set. The macrocyclic complex [Ni2L] 2+ are bridged by H2btec2− anions to form 1D chains, which are further joined via N–H···O hydrogen bonds to yield a 3D supramolecular structure. Thermogravimetric analysis (TGA) for the complex is discussed.  相似文献   

13.

Abstract  

Two new compounds (H3biim)(NO3)(1) and (H4biim)(phthgly)2 (2) (H2biim=biimidazole; Hphthgly=N-phthaloylglycine) have been synthesized and characterized by luminescence and single crystal X-ray diffraction study. Compound 1 crystallizes in the monoclinic space group C2/c, where a = 14.8078(15), b = 5.9233(6), c = 20.028(2) ?, β = 92.7910(10)°, V = 1754.6(3) ?3 and Z = 8. Compound 2 crystallizes in the monoclinic space group P2(1)/n, where a = 15.3775(14), b = 5.3200(6), c = 6.4689(18)?, β = 115.418(2)° V = 1216.9(2)?3 and Z = 4. In 1, the N–H groups of H3biim+ and the oxygen atoms of NO3 are linked by hydrogen bonds leading to H3biim+(N,N)–R22(10) and N–H···O interactions forming infinite 1D helical chains along the b-axis. Compound 2 consists of a planar diprotonated biimidazole moiety and two phthgly anions which connect to the dication by hydrogen bonds phthgly(O,O)–R22(9).  相似文献   

14.

Abstract  

The crystal structures of two zinc(II) 4-chloro- and 5-chlorosalicylate complexes, [Zn(4-ClC6H3-2-(OH)COO)2(H2O)4]·2tph·(H2O)2 (I) and [Zn(5-ClC6H3-2-(OH)COO)2(ina)2(H2O)] (II), where tph is theophylline and ina is isonicotinamide, have been determined using X-ray diffraction methods. Crystals of both (I) and (II) are triclinic, space group P-1, with Z = 1 in a cell with a = 7.2220(3), b = 8.59700(10), c = 16.0210(5) ?, α = 75.990(2), β = 83.959(2), γ = 68.455(2)°, V = 897.54(5) ?3 (I) and with Z = 2 in a cell with a = 11.4148(11), b = 11.5327(10), c = 12.0685(13) ?, α = 63.458(6), β = 87.547(8), γ = 89.387(7)°, V = 1419.9(2) ?3 (II). The coordination environment of the zinc(II) atom of compound (I) consists of two unidentate carboxylate oxygen atoms and four oxygen atoms of aqua ligands, forming a distorted octahedral configuration. Two theophylline molecules and the remaining water molecules are bound only by hydrogen bonds. The Zn atom of compound (II) is pentacoordinated with two unidentate carboxylate oxygen atoms, two pyridine nitrogen atoms of isonicotinamide ligands, and the oxygen atom of the aqua ligand, forming a distorted configuration between square pyramid and trigonal bipyramid. In both complexes intramolecular O–H···O hydrogen-bonding interactions are present. In the crystal structures, molecules are linked by intermolecular O–H···O and N–H···O hydrogen bonds. The structures are analyzed and compared to the similar Zn(II) complexes, with the chromophores ZnO6 and ZnO3N2.  相似文献   

15.

Abstract  

The title complex, [Ba(L1)(μ1,2-ClO4)]2(ClO4)2 (where L1 = 5,17-dihydroxy-3,7,15,19,25,26-hexa-azatricyclo(19.3.1.19,13)hexacosa-1(25),2,7,9(26),10,12,14,19,21,23-decaene), was synthesised by a Schiff base condensation of 2,6-diformylpyridine with 1,3-diaminopropan-2-ol in dry methanol using barium(II) as template ion. The complex was characterised by IR, 1H NMR, mass spectrometry, elemental analysis and X-ray crystallography. The structure was solved in the triclinic space group P [`\text1] {\bar{\text{1}}} with a = 8.4587(9), b = 8.7360(9), c = 17.7722(19) ?, α = 79.786(2), β = 88.780(2), γ = 83.048(2)°, V = 1283.0(2) ?3, Z = 1 and R1 = 0.0433. The macrocycle is folded and the complex dimerises via perchlorate anions which bridge the barium ions, and this interaction is supported by hydrogen bonding between neighbouring alcohol groups. The dimers are further linked into chains via intermolecular O–H···OClO3 hydrogen bonds.  相似文献   

16.

Abstract  

The coordination polymer complex tetracesium bis(5-nitroisophthalate) heptahydrate [Cs4(C8H3NO6)2 (H2O)7] n has been synthesized and characterized using single-crystal X-ray diffraction. Crystals are monoclinic, space group P21/c, with Z = 4 in a cell with dimensions a = 12.3213(3), b = 6.7557(2), c = 36.2020(9) ?, β = 90.548(2)o. The complex is based on a repeating unit comprising four independent and different Cs coordination centres, two 6-coordinate, and two 8-coordinate [Cs–O, range 2.959(5)–3.386(5) ?], and seven water molecules, two of which are monodentate and the other five bridging, while all other oxygen atoms in the structure, including those of the nitro groups form inter-Cs bridges. Extensive water O–H···O hydrogen-bonding interactions give a three-dimensional framework. This structure represents the first of an alkali metal compound of 5-nitroisophthalic acid that has been reported.  相似文献   

17.

Abstract  

Gabapentin hydrochloride hemihydrate, a derivative of Gabapentin [or 1-(aminomethyl) cyclohexaneacetic acid; Gpn, C6H17NO2], is a salt of C9H18NO2 + Cl 0.5 H2O, which crystallizes in the monoclinic space group I 2/a with unit cell parameters a = 13.2467(3), b = 6.5552(2), c = 26.0094(8) ?, β = 96.561(3)°, Z = 8. The crystal structure and bonding network is compared to its isostructural and previously reported polymorphic derivative, Gpn hydrochloride hemihydrate [C9H17NO2 HCl ? H2O]. Both of these derivatives exhibit extensive inter and intra molecular hydrogen bonding networks between the NH3 + group and neighboring Cl, water and carboxyl oxygen atoms as well as similar interactions between the chloride anion and nearby water and carboxyl oxygen atoms. A unique and relatively rare three-center hydrogen bond configuration (with a bifurcated chlorine Cl···H–(N,O) and Cl···H–O acceptor hydrogen bonds) as well as N–H···O donor hydrogen bonds can be seen linking the molecules into chains along the [1 0 1] plane of the unit cell.  相似文献   

18.
Abstract  A new cadmium(II) complex [(C28H24N6)Cd(SCN)2]2(CH3OH)2 (1) has been synthesized and characterized by IR, UV spectra, TG-DTA technique and single crystal X-ray diffraction analysis. The crystallographic data for compound 1: triclinic P1ˉ, a = 9.630(2) Å, b = 11.123(3) Å, c = 15.396(4) Å, α = 106.93(1)°, β = 91.60(1)°, γ = 99.99(1)°, V = 1,548.5(6) Å3, Z = 1, Dc = 1.512 mg/m3, F(000) = 716, R 1 = 0.0332, wR 2 = 0.0907. The molecule contains a symmetrical dinuclear unit in which two Cd(II) ions are double bridged by two di-μ-1,3-SCN anoins with a cadmium–cadmium separation of 6.48 Å. Each Cd(II) ion is seven-coordinated with six nitrogen atoms and a sulfur atom to form a monocapped trigonal prism coordination geometry. In addition, the molecule is further connected by multiform intermolecular C–H···π, π···π interactions and hydrogen bonds to form a three-dimensional supramolecular structure. Graphical Abstract  A hepta-coordinated Cd(II) complex which exhibits a distorted a monocapped trigonal prism coordination geometry has been achieved by using bisbidentate Schiff-base ligand and thiocyanate anion.   相似文献   

19.
Abstract  A three-dimensional lanthanide metal-organic coordination polymer Yb3(BDC)4.5(DMF)2(H2O)3 · (DMF)2 has been synthesized by the reaction of the lanthanide metal ion (Yb3+) with 1,4-benzenedicarboxylic acid (H2BDC) under mild condition. The compound crystallizes in the triclinic system, space group PI with unit cell parameters a = 10.7428(9) Å, b = 11.2786(9) Å, c = 26.172(2) Å, α = 85.060(2)°, β = 88.1060(10)°, γ = 62.3670(10)°, V = 2798.9 (4) Å3, Z = 2. The crystal structure exhibits one-dimensional channels along the [011] direction. The fluorescent results showed that there were two emission peaks at 375 and 420 nm when the compound was excited by a 235 nm excitation. Graphical Abstract  The preparation, X-ray structure and luminescent property are presented for a new lanthanide metal-organic coordination polymer Yb3(BDC)4.5(DMF)2(H2O)3 · (DMF)2.   相似文献   

20.

Abstract  

A new Cu(II) coordination polymer [Cu(3,5-pdc)(H2O)4·H2O] n 1 (3,5-pdc=3,5-pyridinedicarboxylic acid) has been synthesized by hydrothermal method and characterized by IR, elemental analysis, TG technique and X-ray crystallography. The crystallographic data for the compound 1: monoclinic P21/n, a = 11.361(5) ?, b = 7.095(3) ?, c = 14.575(6) ?, β = 107.630(4)°, V = 1,119.7(8) ?3, Z = 4, Dc = 1.891 Mg/m3, F(000) = 652, R 1 = 0.0374, wR 2 = 0.1083. Cu(II) atom has an distorted octahedral environment with N2O4 donor set of Cu(1) and O6 donor set of Cu(2), respectively. Each ligand is bound to two Cu(II) ions and each copper atom is coordinated by two ligands thereby generating a 1D zigzag chain. The 1D chain was interacted each other feathering three-dimensional supramolecular network through π···π interactions and multiform intermolecular hydrogen bonds. The luminescent properties of the title complex in the solid state were investigated.  相似文献   

设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号