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1.
Abstract
The unusual (1:1) complex ‘adduct’ salt of copper(II) with 4,5-dichlorophthalic acid (H2DCPA), having formula [Cu(H2O)4(C8H3Cl2O4) (C8H4Cl2O4)]·(C8H3Cl2O4) 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 = 20.1376(7), b = 12.8408(4) c = 12.1910(4) Å, β = 105.509(4)°. The complex is based on discrete tetragonally distorted octahedral [CuO6] coordination centres with the four water ligands occupying the square planar sites [Cu–O, 1.962(4)–1.987(4) Å] and the monodentate carboxyl-O donors of two DCPA ligand species in the axial sites. The first of these bonds [Cu–O, 2.341(4) Å] is with an oxygen of a HDCPA monoanion, the second with an oxygen of a H2DCPA acid species [Cu–O, 2.418(4) Å]. The un-coordinated ‘adduct’ molecule is a HDCPA counter anion which is strongly hydrogen-bonded to the coordinated H2DCPA ligand [O···O, 2.503(6) Å] while a number of peripheral intra- and intermolecular hydrogen-bonding interactions give a two-dimensional network structure. 相似文献2.
Tonghen Pan Qian Liang Dongsheng Liu Changcang Huang 《Journal of chemical crystallography》2011,41(8):1133-1139
Abstract
Two nickel coordination compounds with m-aminophenol-N,N,O-triacetic acid (H3L), [Ni(L)·(H2O)3]2·Ni(H2O)6·4.3H2O (1), and [Ni(L)·H2O]2·Ni(H2O)6 (2), were obtained under similar reaction conditions but at different synthesis temperature. Single crystal X-ray diffraction analysis reveals that both coordination compounds exhibit discrete dimeric entity structures and contain hexaaquanickel cations acting as counter-ions. Unit cell data for (1): triclinic, space group P-1, a = 7.9977(16), b = 10.475(2), c = 12.952(3) ? and α = 107.36(3), β = 99.66(3), γ = 96.15(3)°; and for (2): monoclinic, space group P21/c, a = 13.524(3), b = 8.5703(17), c = 13.820(3) ? and β = 95.25(3)°. In (1), O–H⋯O hydrogen bonds link the complex anions into a dimeric unit. But in (2), the dimeric unit is generated from two Ni centers bridged by two ligands. Extensive hydrogen bond interactions exist in both coordination compounds, and connect the complex anions, hexaaquanickel cations and/or water molecules, resulting in three-dimensional supramolecular structures. The compounds also have been characterized by elemental analysis, powder X-ray diffraction (PXRD), thermogravimetric analysis (TGA), FT-IR and UV–Vis spectra. 相似文献3.
Abstract
The coordination complex namely diaqua 1,10-phenanthroline cobalt (II) 2,5-pyridine dicarboxylate monohydrate that is formulated as [Co(H2O)2(PHEN)(PDC)] H2O, (PHEN is the abbreviation of 1,10-phenanthroline and PDC is the abbreviation of 2,5-pyridinedicarboxylate), has been hydrothermally synthesized and characterized via single crystal X-ray diffraction techniques. This compound is monoclinic, space group P21/c, with Z = 4 in a unit cell with dimensions a = 11.7840(5) ?, b = 7.5298(3) ?, c = 21.5238(9) ?, β = 93.124(3)°. The structure contains one crystallographic unique Co atom, two coordinate water molecules, one PHEN species, one PDC fragment and one lattice water molecule. Extensive water O–H···O hydrogen bonding interaction among the adjacent discrete molecules leads to a two dimensional framework. This structure represents the first of cobalt compound in the system of PDC and PHEN that has been reported. 相似文献4.
Abstract
The synthesis, thermal and spectral characterization and crystal structure of silver(I) complex with picolinamide, [Ag(C6H6N2O)2](NO3)·H2O, are reported. The silver(I) atom is chelated by two picolinamide (pia) ligands in approximately square planar geometry. The distortion within the coordination environment is mainly imposed by formation of the chelate rings, but it is also observed in two longer (Ag–O) and two shorter (Ag–N) bond lengths. The compound crystallizes in the triclinic space group P[`1]P\bar{1} with a = 7.1265(2) ?, b = 8.9157(4) ?, c = 12.9527(4) ?, α = 83.934(3)°, β = 86.094(2)°, γ = 67.023(3)° and Z = 2. Cationic complexes are linked through amide–amide hydrogen bonds of ‘head-to-head’ R 22(8) motif leading to infinite chains, while nitrate anions and H2O molecules act only as a cross-link between such four symmetry related cationic chains via hydrogen bonds forming 2D supramolecular double sheets. Therefore, the ‘head-to-head’ amide interactions in [Ag(C6H6N2O)2](NO3)·H2O are robust enough to accommodate the usually disruptive NO3 − anion and H2O molecule and could be regarded as a tool for controlling the assembly of this silver complex. 相似文献5.
Abstract A pair of CuII coordination isomers [Cu(pmt)2] · 4H2O (1) and {[Cu(pmt)2] · 2H2O}
n
(2) [Hpmt = 2-(2-pyridylmethylamino) ethanesulfonic acid] have been prepared by reaction of the same proportion CuCl2 · 2H2O and Hpmt but with different experimental methods in water–methanol mixed solution, and were characterized by X-ray diffraction,
elemental analysis, IR spectrum. X-ray analysis indicates that complex (1) is a mononuclear complex in which two deprotonated pmt ligands coordinate in a facial tridentate arrangement about the CuII atom. While complex (2) is a coordination polymer, in which four N atoms of pmt ligands coordinate to one CuII atom but its sulfonate O atoms bond to adjacent CuII atom. Thus 12-membered rings (–Cu–N–C–C–S–O–)2 are obtained between two neighbouring CuII atoms and they connect one another to form this new polymer. Crystal data: [Cu(pmt)2] · 4H2O (1), Mr = 566.10, monoclinic, P2
1/c, a = 9.1950(8) ?, b = 11.5093(10) ?, c = 11.2304(10) ?, β = 105.5550(10)°, Z = 2, V = 1144.96(17) ?3, R
1
= 0.0407, wR
2
= 0.1242 [I > 2σ (I)]; {[Cu(pmt)2] · 2H2O}
n
(2), Mr = 530.07, triclinic, P-1, a = 7.6165(19) ?, b = 8.806(2) ?, c = 9.592(4) ?, α = 104.933(4)°, β = 106.732(4)°, γ = 109.503(3)°, Z = 1, V = 534.2(3) ?3, R
1 = 0.0470, wR
2 = 0.1082 [I > 2σ(I)].
Index Abstract A pair of CuII coordination isomers [Cu(pmt)2] · 4H2O (1) and {[Cu(pmt)2] · 2H2O}
n
(2) [Hpmt = 2-(2-pyridylmethylamino) ethanesulfonic acid] have been prepared by reaction of the same proportion CuCl2 · 2H2O and Hpmt but with different experimental methods in water–methanol mixed solution.
相似文献
6.
《Journal of chemical crystallography》2011,41(7):1077-1084
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7.
Abstract The mononuclear complex [Na(C7H6O4)(H2O)3](C7H5O4) · 2H2O has been synthesized and characterized by IR, single crystal X-ray and thermal analysis. The compound crystallizes in the
monoclinic space group P21 with a = 3.623(2) ?, b = 15.872(6) ?, c = 15.650(5) ?, β = 93.13(4)°, V = 896.6(7) ?3 and Z = 2. The central sodium ion is six coordinated with distorted octahedral geometry by two oxygen atoms from two bridging 3,5-dihydroxybenzoate
ligands and four ones from different water molecules. The notable feature of the title complex is the formation of a three-dimensional
network, through the combination of coordination bonds, hydrogen bonds and π···π interactions. There are one-dimensional channels
in the structure, filled in by water molecules. The compound dehydrates in the temperature range of 70–125 °C and then is
stable up to 230 °C.
Index Abstract The mononuclear complex [Na(C7H6O4)(H2O)3](C7H5O4) · 2H2O has been synthesized and characterized by IR, single crystal X-ray and thermal analysis.
相似文献
8.
Wen-Xiang Chai Li Song Kang-Ying Shu Hong-Sheng Shi Lai-Shun Qin 《Journal of chemical crystallography》2010,40(5):448-452
Abstract
The reaction of isonicotinic acid (IN), sodium hydroxide, 1,10-phenanthroline (phen) and neodymium nitrate leads to the formation of a novel complex [Nd(phen)(IN)2(NO3)(H2O)2]2 1, which has been characterized by single crystal X-ray diffraction analysis: monoclinic, space group C2/c, with a = 24.93(2) Å, b = 9.452(3) Å, c = 21.406(5) Å, β = 97.87(2)°, and Z = 4. Complex 1 consists of a centrosymmetric dinclear molecule, and neodymium atoms are bridged by two carboxyl groups of two IN ligands. The dinuclear clusters of 1 are connected each other into a three-dimensional (3D) supramolecular framework, which is stabilized by O–H···O, O–H···N hydrogen bonds as well as π–π stacking interactions. Its electronic absorption and luminescence properties have also been investigated. 相似文献9.
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10.
Jerry P. Jasinski M. K. Bharty N. K. Singh S. K. Kushwaha Ray J. Butcher 《Journal of chemical crystallography》2011,41(1):6-11
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11.
Ying-Yin Jiang Jian-Fang Ma Ying-Ying Liu Jin Yang 《Journal of chemical crystallography》2011,41(3):286-290
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12.
Chang-Ge Zheng Qian-Li Qian Yan-Fu Liu Chun-Lei Ma Jian-Quan Hong Song Li Xiu-Ying Chen 《Journal of chemical crystallography》2010,40(1):19-24
Abstract
A novel 3,4,7,8-tetrachloro-1,10-phenanthroline (Cl4phen) Zn(II) complex has been synthesized. The complex, [Zn(Cl4phen)2(H2O)2](NO3)2·CH3CH2OH (1), has been identified and characterized by single crystal X-ray diffraction, elemental analysis, FT-IR, thermogravimetric analysis and photoluminescence studies. Single crystal X-ray diffraction analysis reveals that complex (1) belongs to the monoclinic system, space group P2(1)/c, a = 10.061(2) Å, b = 18.924(4) Å, c = 18.189(4) Å, β = 100.94(3)°, and Z = 4. Complex (1) consists of cationic species [Zn(Cl4phen)2(H2O)2]2+, NO3 − and CH3CH2OH. The zinc atom displays a distorted cis-N4O2 octahedral geometry. Via extended Zn–O–H···O–N–O···H–O–Zn bridge, every mononuclear unit is linked with other ones to form one-dimensional (1D) infinite chain of hydrogen bond system. Three-dimensional (3D) polymeric network arrangement was built via weak C–H···O and π-stacking interactions between Cl4phen moieties. A solvent-dependency effect of complex (1) was observed in spectroscopic properties. 相似文献13.
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
14.
Loic Toupet Pierre H. Dixneuf Mehmet Akkurt Maria Daoudi Najat Sam Abdelali Kerbal Zahid H. Chohan Taibi Ben Hadda 《Journal of chemical crystallography》2009,39(6):423-427
Abstract Diethyl-2,2′-bipyridine-3,3′-dicarboxylate (3 or L) reacts with RuCl3 · 3H2O to give cis-(Cl)-[Ru(L)2Cl2] · H2O (4) and structure of the complex was determined by spectral (IR, 1H-NMR), and mass spectroscopic data, elemental analyses and X-ray crystallography. The structure is solved in triclinic, space
group p-1 with a = 10.658 (2), b = 12.446 (3), c = 14.186 (5) ?, α = 104.856 (3), β = 108.704 (3), γ = 94.973 (2)°, V = 1693.2 (8) ?3, Z = 2 with final R = 0.012. The geometry of the complex is shown to be a distorted octahedral with four nitrogens of two 2,2′-bipyridyl ligands
in two different planes with Ru–N distance as 2.021 (2)−2.071 (3) ?. The cis-position is occupied by two chloride atoms with
Ru–Cl distance as 2.4156 (12) and 2.4167 (13) ?. The trans-axial Cl2–Ru1–N and Cl1–Ru1–N4 angles are respectively, 172.42
(7) and 174.12 (7)°. A weak hydrogen bonding is observed between the two chlorides and hydrogens of neighbouring molecule
[C–H···Cl distance as 2.72, 2.77 (4) ?]. A second type of weak hydrogen bonding is also observed between the oxygens of carboxylate
groups and hydrogens of a neighbouring molecule [C–H···O distance as 2.53, 2.56 and 2.34 (4) ?].
Graphical Abstract The structure of anti-tubercular precursor complexes, cis-(chloro)-[N,N′-bis-(diethyl-2,2′-bipyridine-3,3′-dicarboxylate)]ruthenium(II)
monohydrate is solved by single crystal X-ray diffraction analysis which reveals geometry of the complex to be a distorted
octahedral with four nitrogens of two 2,2′-bipyridyl ligands in two different planes. The cis-position is occupied by two
chloride atoms.
相似文献
15.
Feng Guo 《Journal of chemical crystallography》2011,41(10):1505-1509
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16.
Fang-Kuo Wang Shi-Yao Yang Rong-Bing Huang Lan-Sun Zheng 《Journal of chemical crystallography》2010,40(10):837-840
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17.
Pavica Planinić Marijana Jurić Berislav Perić Marija Herceg 《Journal of chemical crystallography》2010,40(10):877-883
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18.
Abstract
A cyano-bridged bimetallic assembly, [MnIII(salen)]2[FeII(CN)5NO]·2H2O [salen = N,N′-1,2-ethylenebis(salicylideneiminato)dianion], has been prepared and characterized structurally and magnetically. It crystallizes in the tetragonal space group P4/ncc with a = b = 14.813(2) ?, c = 17.093(5) ?, V = 3750.6(13) ?3, Z = 4. In this complex, each [Fe(CN)5NO]2− unit connects four [Mn(salen)]+ units with its four co-planar cyanide groups, and each [Mn(salen)]+ unit is linked to two [Fe(CN)5NO]2− ions in trans-form, which results in a two-dimensional (2-D) network consisting of pillow-like octanuclear [–FeII–CN–MnIII–NC–]4 units with dimensions: Fe–C = 1.943(3) ?, C≡N– = 1.139(4) ?, Mn–N = 2.326(3) ?, Fe–C≡N = 178.0(3)°, Mn–N≡C = 161.7(3)°. The NO group of [Fe(CN)5NO]2− remains monodentate and the bond angle of Fe–N–O is linear (180.0°). The variable temperature magnetic susceptibilities, measured in the 1.8–300 K range, show a weak MnIII···MnIII antiferromagnetic interaction through the diamagnetic –NC–FeII–CN– bridges. 相似文献19.
Huaihong Zhang Yu Sun Xiaodan Chen Qing Liang Baiwang Sun 《Journal of chemical crystallography》2011,41(5):715-720
Abstract
The title cobalt complex, [Co(C9H7N2O2)2H2O]H2O, has been synthesized by the reaction of ligand, 9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidine-4-one (HL), and cobalt nitrate. The synthesized complex was characterized by IR, elemental analysis (C, H and N), mass spectrometry and X-ray crystallography. The structure was solved in monoclinic, space group P21/c with a = 14.4584(13), b = 6.9385(8), c = 18.045(2) ?, β = 94.8440(10), V = 1803.8(3) ?3, Z = 4, and with R int = 0.034. The Co(II) complex, as shown by the single-crystal structure determination, existed as a mononuclear complex with distorted square-pyramidal geometry. The mental center was coordinated by two molecules from the bidentate ligand (HL) and an O atom from the coordinated water molecule. The intermolecular aromatic π–π stacking interactions generate discrete dimers. Furthermore, these discrete dimers were connected via O–H···O hydrogen bond in complex to form three-dimensional networks. At room temperature, the complex can emit blue luminescence at 430 nm in the solid state, while it about 42 nm blue-shifted in ethanol solution. Compared with free ligand, the luminescence was greatly intensified. 相似文献20.
Krištof Kranjc Amadej Juranovič Marijan Kočevar Franc Perdih 《Journal of chemical crystallography》2012,42(5):443-449