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1.
Synthesis,Spectral, Thermal Studies of Co(II), Ni(II), Cu(II) and Zn(II)‐arginato Complexes. Crystal Structure of Monoaquabis(arginato‐κO,κN)copper(II). [Cu(arg)2(H2O)].NaNO3
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Dursun Ali Köse Emre Toprak Emre Avcı Gülçin Alp Avcı Onur Şahin Orhan Büyükgüngör 《中国化学会会志》2014,61(8):881-890
Transition metal complexes of arginine (using Co(II), Ni(II), Cu(II) and Zn(II) cations separately) were synthesized and characterized by FTIR, TG/DTA‐DrTG, UV‐Vis spectroscopy and elemental analysis methods. Cu(II)‐Arg complex crystals was found suitable for x‐ray diffraction studies. It was contained, one mole CuII and Na+ ions, two arginate ligands, one coordinated aqua ligand and one solvent NO3? group in the asymmetric unit. The principle coordination sites of metal atom have been occupied by two N atoms of arginate ligands, two carboxylate O atoms, while the apical site was occupied by one O atom for CuII cation and two O atoms for CoII, NiII, ZnII atoms of aqua ligands. Although CuII ion adopts a square pyramidal geometry of the structure. CoII, NiII, ZnII cations have octahedral due to coordination number of these metals. Neighbouring chains were linked together to form a three‐dimensional network via hydrogen‐bonding between coordinated water molecule, amino atoms and O atoms of the bridging carboxylate groups. CuII complex was crystallized in the monoclinic space group P21, a = 8.4407(5) Å, b = 12.0976(5) Å, c = 10.2448(6) Å, V = 1041.03(10) Å3, Z = 2. Structures of the other metal complexes were similar to CuII complex, because of their spectroscopic studies have in agreement with each other. Copper complex has shown DNA like helix chain structure. Lastly, anti‐bacterial, anti‐microbial and anti‐fungal biological activities of complexes were investigated. 相似文献
2.
Jia‐Jia Wei Na Zhang Yu‐Ling Wang Qing‐Yan Liu 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(5):m145-m148
The asymmetric unit of the title compound, [InNa(C3H5O3)4]n, consists of one InIII ion, one NaI ion and four crystallographically independent l ‐lactate monoanions. The coordination of the InIII ion is composed of five carboxylate O and two hydroxy O atoms in a distorted pentagonal–bipyramidal coordination geometry. The NaI ion is six‐coordinated by four carboxylate O atoms and two hydroxy O atoms from four l ‐lactate ligands in a distorted octahedral geometry. Each InIII ion is coordinated by four surrounding l ‐lactate ligands to form an [In(l ‐lactate)4]− unit, which is further linked by NaI ions through Na—O bonds to give a two‐dimensional layered structure. Hydrogen bonds between the hydroxy groups and carboxylate O atoms are observed between neighbouring layers. 相似文献
3.
Louis J. Farrugia Robert D. Peacock Brian Stewart 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e435-e436
The three title complexes, namely pentasodium tris(2,2′‐oxydiacetato)neodymium(III) bis(tetrafluoroborate) hexahydrate and its samarium(III) and gadolinium(III) analogues, (I)–(III), respectively, are isomorphous and isostructural and have crystallographic D3 symmetry. The lanthanide metal ions are nine‐coordinate, binding to three O atoms of three oxodiacetate ligands. One Na+ ion is octahedrally coordinated to six O atoms and the other Na+ ion is octahedrally coordinated to four O atoms and two F atoms. The structure is effectively an infinite three‐dimensional polymer, consistent with the exceptional crystal quality. The racemic solutions spontaneously resolve on crystallization. For the individual crystals selected for structural analysis, the Nd and Sm complexes have the Λ configuration, while the Gd complex has the Δ configuration. The lanthanide–oxygen distances show the expected contraction of ca 0.02 Å with increasing atomic number for the lanthanide metal. 相似文献
4.
Jun‐Gill Kang Jung‐Pyo Hong Sung Kwon Kang 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(10):e432-e433
In the title compound, Na+·C6H8NO6?·2H2O, the sodium ion is coordinated in a distorted octahedral manner by two carboxylate O atoms and two water O atoms. Each of these water molecules bridges two adjacent Na ions, resulting in two four‐membered rings of the type Na–O–Na–O. 相似文献
5.
Hassane Assaaoudi Abdelaziz Ennaciri Mohamed Harcharras Brahim El Bali Felix Reinauer Robert Glaum Andr Rulmont Marie‐Rose Spirlet 《Acta Crystallographica. Section C, Structural Chemistry》2002,58(6):i79-i81
The crystal structures of the isomorphous title compounds, namely potassium zinc hydrogen pyrophosphate dihydrate and potassium manganese hydrogen pyrophosphate dihydrate, consist of acidic pyrophosphate–metallate(II) layers joined by K+ ions and hydrogen‐bridging bonds. The Zn2+/Mn2+ ions are octahedrally surrounded by four pyrophosphate O atoms and by two water molecules. The (HP2O7)3? anions exhibit eclipsed conformations. The metal ions and water O atoms lie on mirror planes, as does the central O atom of the (HP2O7)3? anion. 相似文献
6.
Riadh Marzouki Abderrahmen Guesmi Ahmed Driss 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(10):i95-i98
The title compound, tetrasodium cobalt aluminium hexaarsenate, Na4Co7−xAl2/3x(AsO4)6 (x = 1.37), is isostructural with K4Ni7(AsO4)6; however, in its crystal structure, some of the Co2+ ions are substituted by Al3+ in a fully occupied octahedral site (site symmetry 2/m) and a partially occupied tetrahedral site (site symmetry 2). A third octahedral site is fully occupied by Co2+ ions only. One of the two independent tetrahedral As atoms and two of its attached O atoms reside on a mirror plane, as do two of the three independent Na+ cations, all of which are present at half‐occupancy. The proposed structural model based on a careful investigation of the crystal data is supported by charge‐distribution (CHARDI) analysis and bond‐valence‐sum (BVS) calculations. The correlation between the X‐ray refinement and the validation results is discussed. 相似文献
7.
Maria C. Gelabert Jennifer Hart Thomas J. Emge 《Acta Crystallographica. Section C, Structural Chemistry》2010,66(11):m327-m329
In the extended structure of the title compound, [Zn2(C10H12N2O8)(H2O)], prepared under hydrothermal conditions, there are two distinct ZnII sites. The first, with octahedral geometry, bonds to two N and three O atoms from one ethylenediaminetetraacetate tetraanion (EDTA) and one water molecule. The second, with tetrahedral geometry, coordinates to O atoms from four different EDTA ligands. The EDTA ligand almost encapsulates the octahedral ZnII ion and binds to four symmetry‐related tetrahedral ZnII ions, hence generating the extended structure. One noncoordinated O‐atom site on the EDTA ligand connects to the water molecule by hydrogen bonding. Structural comparisons are made with other compounds containing zinc, EDTA and water. 相似文献
8.
ESI‐MS studies of the non‐covalent interactions between biologically important metal ions and N‐sulfonylcytosine derivatives
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Valentina Ključarić Renata Kobetić Jasmina Rinkovec Snježana Kazazić Dubravka Gembarovski Dijana Saftić Josipa Matić Željka Ban Biserka Žinić 《Journal of mass spectrometry : JMS》2016,51(11):998-1005
The aim of this report is to present the electrospray ionization mass spectrometry results of the non‐covalent interaction of two biologically active ligands, N‐1 ‐ (p‐toluenesulfonyl)cytosine, 1‐TsC, 1 and N‐1 ‐ methanesulfonylcytosine, 1‐MsC, 2 and their Cu(II) complexes Cu(1‐TsC‐N3)2Cl2, 3 and Cu(1‐MsC‐N3)2Cl2 and 4 with biologically important cations: Na+, K+, Ca2+, Mg2+ and Zn2+. The formation of various complex metal ions was observed. The alkali metals Na+ and K+ formed clusters because of electrostatic interactions. Ca2+ and Mg2+ salts produced the tris ligand and mixed ligand complexes. The interaction of Zn2+ with 1–4 produced monometal and dimetal Zn2+ complexes as a result of the affinity of Zn2+ ions toward both O and N atoms. Copyright © 2016 John Wiley & Sons, Ltd. 相似文献
9.
Yun‐Liang Jiang Qing‐Yan Liu Yu‐Ling Wang 《Acta Crystallographica. Section C, Structural Chemistry》2011,67(9):m297-m300
The title compound, [Zn2(C9H4O6)2(C6H6N4)2], consists of two ZnII ions, two 5‐carboxybenzene‐1,3‐dicarboxylate (Hbtc2−) dianions and two 2,2′‐bi‐1H‐imidazole (bimz) molecules. The ZnII centre is coordinated by two carboxylate O atoms from two Hbtc2− ligands and by two imidazole N atoms of a bimz ligand, in a distorted tetrahedral coordination geometry. Two neighbouring ZnII ions are bridged by a pair of Hbtc2− ligands, forming a discrete binuclear [Zn2(Hbtc)2(bimz)2] structure lying across an inversion centre. Hydrogen bonds between carboxyl H atoms and carboxylate O atoms and between imidazole H atoms and carboxylate O atoms link the binuclear units. These binuclear units are further extended into a three‐dimensional supramolecular structure through extensive O—H...O and N—H...O hydrogen bonds. Moreover, the three‐dimensional nature of the crystal packing is reinforced by the π–π stacking. The title compound exhibits photoluminescence in the solid state, with an emission maximum at 415 nm. 相似文献
10.
Agueda E. Ceniceros‐Gmez Angel Ramos‐Organillo Julio Hernndez‐Díaz Jonathan Nieto‐Martínez Rosalinda Contreras Silvia E. Castillo‐Blum 《Heteroatom Chemistry》2000,11(6):392-398
The coordination sites of 2,6‐bis(benzimidazol‐2′‐yl)pyridine ( 1 ) toward protons and the diamagnetic metal ions Li+, Na+, and Co3+ were investigated by NMR spectroscopy. Variable temperature 1H and 13C NMR experiments were performed on 1 in order to evaluate the tautomeric equilibrium and hydrogen bonding. Imidazole dicoordinated aromatic nitrogen atoms were protonated by trichloroacetic acid and the three N‐dicoordinated atoms by fuming H2SO4. Reactions of the ligand 1 and benzimidazole 2 with metallic sodium or LiH afforded anionic species; the alkali metal ions appeared solvated by THF, but not by the ligands 1 or 2 . In contrast, reaction of 1 with Co(III) produces the stable cation [Co( 1 ‐H)2]+ with cobalt ion coordinated by two molecules of the monodeprotonated ligand. © 2000 John Wiley & Sons, Inc. Heteroatom Chem 11:392–398, 2000 相似文献
11.
Jiajia Guo Wenli Cao Shuailei Li Kanghua Miao Jirong Song Jie Huang 《Acta Crystallographica. Section C, Structural Chemistry》2016,72(2):166-169
The crystal engineering of coordination polymers has aroused interest due to their structural versatility, unique properties and applications in different areas of science. The selection of appropriate ligands as building blocks is critical in order to afford a range of topologies. Alkali metal cations are known for their mainly ionic chemistry in aqueous media. Their coordination number varies depending on the size of the binding partners, and on the electrostatic interaction between the ligands and the metal ions. The two‐dimensional coordination polymer poly[tetra‐μ‐aqua‐[μ4‐4,4′‐(diazenediyl)bis(5‐oxo‐1H‐1,2,4‐triazolido)]disodium(I)], [Na2(C4H2N8O2)(H2O)4]n, (I), was synthesized from 4‐amino‐1H‐1,2,4‐triazol‐5(4H)‐one (ATO) and its single‐crystal structure determined. The mid‐point of the imino N=N bond of the 4,4′‐(diazenediyl)bis(5‐oxo‐1H‐1,2,4‐triazolide) (ZTO2−) ligand is located on an inversion centre. The asymmetric unit consists of one Na+ cation, half a bridging ZTO2− ligand and two bridging water ligands. Each Na+ cation is coordinated in a trigonal antiprismatic fashion by six O atoms, i.e. two from two ZTO2− ligands and the remaining four from bridging water ligands. The Na+ cation is located near a glide plane, thus the two bridging O atoms from the two coordinating ZTO2− ligands are on adjacent apices of the trigonal antiprism, rather than being in an anti configuration. All water and ZTO2− ligands act as bridging ligands between metal centres. Each Na+ metal centre is bridged to a neigbouring Na+ cation by two water molecules to give a one‐dimensional [Na(H2O)2]n chain. The organic ZTO2− ligand, an O atom of which also bridges the same pair of Na+ cations, then crosslinks these [Na(H2O)2]n chains to form two‐dimensional sheets. The two‐dimensional sheets are further connected by intermolecular hydrogen bonds, giving rise to a stabile hydrogen‐bonded network. 相似文献
12.
Dong‐Qing Li Jian Zhou Xing Liu 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(8):m371-m373
In the title compound, catena‐poly[[aquazinc(II)]‐μ3‐tyrosinato], [Zn(C9H7NO3)(H2O)]n, each Zn atom has a distorted square‐pyramidal geometry comprised of three O atoms and one N atom from three tyrosinate (tyr) ligands, and one aqua ligand. Two inversion‐related Zn2+ ions are bridged by two O atoms from the phenolate groups of two tyr ligands to form a centrosymmetric dimeric unit, which can be described as a planar Zn2O2 four‐membered ring. These repeating dimeric units are arranged along the c axis to give a one‐dimensional chain coordination polymer, in which the tyr ligand adopts an unusual chelating/bridging coordination mode. 相似文献
13.
J. A. Paixo F. V. Nascimento A. Matos Beja M. Ramos Silva 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(2):168-170
In the title compound, Na+·C14H11O2?, the diphenylacetate ions have a conformation where the two phenyl rings and the carboxylate group are oriented like the blades of a propeller, each ion having a well defined helicity. The crystal structure of the title compound is achiral, although non‐centrosymmetric (space group ); thus, ions with both (+) and (?) helicities are present in the crystal. Each Na+ ion is coordinated by four carboxylate O atoms at distances in the range 2.207 (2)–2.467 (3) Å to form cubes of Na and O atoms which are linked via the carboxylate C atoms into a columnar structure along the rotoinversion axis. 相似文献
14.
Quan‐Zheng Zhang Can‐Zhong Lu 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(2):m78-m80
In the title compound, [Mn2(C7H6NO2)2(C2H3O2)2(C10H8N2)2], the two MnII atoms are each coordinated by one 2,2′‐bipyridyl molecule, one 4‐aminobenzoate ion and two acetate ions. The two Mn atoms exhibit different coordination environments: one is coordinated by two N and four O atoms, while the other is coordinated by two N and three O atoms. The two Mn atoms are bridged by two acetate ions in a syn–anti mode, with an Mn⋯Mn distance of 4.081 (1) Å. 相似文献
15.
Pr4(SeO3)2(SeO4)F6 and NaSm(SeO3)(SeO4): Selenite‐Selenates of Rare Earth Elements Light green single crystals of Pr4(SeO3)2(SeO4)F6 have been obtained from the decomposition of Pr2(SeO4)3 in the presence of LiF in a gold ampoule. The monoclinic compound (C2/c, Z = 4, a = 2230.5(3), b = 710.54(9), c = 835.6(1) pm, β = 98.05(2)°, Rall = 0.0341) contains two crystallographically different Pr3+ ions. Pr(1)3+ is attached by six fluoride ions and two chelating SeO32– groups (CN = 10), Pr(2)3+ is surrounded by four fluoride ions, three monodentate SeO32– and two SeO42– groups. One of the latter acts as a chelating ligand, so the CN of Pr(2)3+ is 10. The selenite ions are themselves coordinated by five and the selenate ions by four Pr3+ ions. The coordination number of the F– ions is three and four, respectively. The linkage of the coordination polyhedra leads to cavities in the crystal structure which incorporate the lone pairs of the selenite ions. The reaction of Sm2(SeO4)3 and NaCl in gold ampoules yielded light yellow single crystals of NaSm(SeO3)(SeO4). The monoclinic compound (P21/c, Z = 4, a = 1066.9(2), b = 691.66(8), c = 825.88(9) pm, β = 91.00(2)°, Rall = 0.0530) contains tenfold oxygen coordinated Sm3+ ions. The oxygen atoms belong to five SeO32– and two SeO42– ions. Two of the SeO32– groups as well as one of the SeO42– groups act as a chelating ligand. The sodium ions are surrounded by five SeO42– ions and one SeO32– group. One of the selenate ions is attached chelating leading to a coordination number of seven. Each selenite group is coordinated by six (5 × Sm3+ and 1 × Na+), each selenate ion by seven cations (5 × Na+ and 2 × Sm3+). 相似文献
16.
Hong‐Xu Guo Zhong‐Liang Yao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(7):i51-i53
The novel title polyvanadate(V), poly[[octa‐μ‐aqua‐dodecaaqua‐μ4‐octacosaoxidodecavanadato‐hexasodium] tetrahydrate], [Na6(H2O)20(V10O28)·4H2O]n, contains [V10O28]6− anions which lie about inversion centres and have approximate 2/m symmetry and which are linked to [Na3(H2O)10]3+ cations through two terminal and two μ2‐bridging O atoms. The structure contains three inequivalent Na+ cations, two of which form [Na2(H2O)8]n chains, which are linked via NaO6 octahedra involving the third Na+ ion, thus forming a three‐dimensional framework. 相似文献
17.
Lina Ji Hongwei Ma Jingkui Liang 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(5):i30-i32
The title compound, dilithium(I) trizinc(II) bis[diphosphate(4−)], is the first quaternary lithium zincopyrophosphate in the Li–Zn–P–O system. It features zigzag chains running along c, which are built up from edge‐sharing [ZnO5] trigonal bipyramids. One of the two independent Zn sites is fully occupied, whereas the other is statistically disordered by Zn2+ and Li+ cations, although the two Zn sites have similar coordination environments. Li+ cations occupy a four‐coordinated independent site with an occupancy factor of 0.5, as well as being disordered on the partially occupied five‐coordinated Zn site with a Zn2+/Li+ ratio of 1:1. 相似文献
18.
Li‐Na Zhu Shan Gao Li‐Hua Huo 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(4):m182-m184
In the C2‐symmetric dinuclear title complex, [Zn2(C18H13N4O2)2(C2H3O2)2]·4H2O, each ZnII ion is five‐coordinated in a distorted trigonal bipyramidal fashion by one carboxylate O atom from one benzoate ligand, one imine N atom and two pyridyl N atoms from a second benzoate ligand, and one O atom from an acetate anion. The two Zn atoms are bridged by the two benzoate ligands, forming a dinuclear structure with a 14‐membered macrocycle. Adjacent dinuclear units are further connected by extensive hydrogen bonds involving the solvent water molecules, giving a three‐dimensional hydrogen‐bonded framework. The framework can be regarded as an example of the four‐connected node network of the PtS topology. 相似文献
19.
Yong Wang Dong‐Xia Zhu Zhong‐Min Su Kui‐Zhan Shao Ya‐Hui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2008,64(1):m70-m72
The novel title ZnII coordination polymer, poly[bis(μ‐6‐thioxo‐1,6‐dihydropyridine‐3‐carboxylato‐κ2S:O)zinc(II)], [Zn(C6H4NO2S)2]n, consists of two crystallographically independent zinc centers and two 6‐mercaptonicotinate (Hmna−) ligands. Each ZnII atom is four‐coordinated and lies at the center of a distorted tetrahedral ZnS2O2 coordination polyhedron, bridged by four Hmna− ligands to form a two‐dimensional (4,4)‐network. Each Hmna− ion acts as a bridging bidentate ligand, coordinating to two ZnII atoms through the S atom and a carboxyl O atom. The metal centers reside on twofold rotation axes. The coordination mode of the S atoms and N—H...O hydrogen‐bonding interactions between the protonated N atoms and the uncoordinated carboxyl O atoms give the extended structure a wavelike form. 相似文献
20.
Nobuo Okabe Naomi Oya 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(12):1416-1417
In the structure of the title compound, [Mn2(C7H3NO4)2(H2O)6]·2C7H5NO4, a centrosymmetric dinuclear complex, hexaaaquabis(pyridine‐2,6‐dicarboxylato)dimanganese(II) and free pyridine‐2,6‐dicarboxylic acid are present in a 1:2 ratio. In the complex, each Mn2+ ion is coordinated by three O atoms and one N atom from the pyridine‐2,6‐dicarboxylate ligands and by three water O atoms, resulting in a distorted pentagonal bipyramidal coordination. Within the centrosymmetric dinuclear complex, two Mn2+ ions are bridged by two carboxylate O atoms. The crystal structure is stabilized by hydrogen bonds involving all the H atoms of the water ligands. 相似文献