New Coordination Compounds Derived from Nitrone Ligands: Copper(II) Complexes with 8-Hydroxyquinoline-2-carbaldehyde- and Pyridine-2-carbaldehyde-N-methylnitrones

2001 ◽  
Vol 56 (12) ◽  
pp. 1264-1270 ◽  
Author(s):  
Elena G. Petkova ◽  
Konstantin V. Domasevitch ◽  
Marian V. Gorichko ◽  
Vera Y. Zub ◽  
Rostislav D. Lampeka
Keyword(s):  
Coordination Compounds ◽  
Copper Ions ◽  
Uv Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Hydroxy Groups ◽  
Ir And Uv Spectroscopy ◽  
Oxygen Atoms

Abstract New copper(II) complexes with 8-hydroxyquinoline-2-carbaldehyde-N-methylnitrone (HL1) (1) and pyridine-2-carbaldehyde-N-methylnitrone (L2) (2) have been synthesized. The crystal structure of compound 1 consists of binuclear molecules Cu2(L1)2(NO3)2 with the oxygen atoms of the hydroxy groups acting as bridges between the copper ions. The nitrone ligand in 1 is coordinated in a tridentate fashion forming five-and six-membered chelate rings, and the copper ions have a square-pyramidal environment with the bridging oxygen atoms in apical positions. In compound 2 Cu(L2)2(NO3)2, the copper atom adopts a distorted octahedral environment with bidentately coordinated nitrone ligands. In both cases the nitrone groups are involved in coordination via the oxygen atom. Compounds 1 and 2 have been studied by EPR, UV-VIS and IR spectroscopy. The free nitrone HL1 has also been studied by X-ray diffraction as well as by IR and UV spectroscopy.

Synthesis, IR and X-Ray Studies of Tetra(N,N′-tetraethyl-N″-benzoyl- phosphorictriamide)-tetra(μ-3-methoxo)-tetra(methanol)tetra-NickeI(II)

1998 ◽  
Vol 53 (8) ◽  
pp. 836-840 ◽  
Author(s):  
Vladimir A. Ovchynnikov ◽  
Vladimir M. Amirkhanov ◽  
Anatoliy A. Kapshuk ◽  
Tatyana Yu. Sliva ◽  
Tadeusz Glowiak ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Oxygen Atom ◽  
Metal Ion ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Methoxy Groups ◽  
Oxygen Atoms

Abstract A new nickel(II) complex with N,N′-tetraethyl-N″-benzoylphosphortriamide (HL = C6H5C(O)N(H)P(O)(NEt2)2) of composition Ni4L4(OCH3)4·(HOCH3)4 (1) has been synthe­ sized. The crystal and molecular structure of 1 has been determined from the X-Ray diffraction data (tetragonal, space group P4̄21c with a = 17.000(2) Å, c = 15.338(3) Å, Z = 2; R = 0.0399 for 1412 unique reflections). The structure is made up of cubane-like tetramers. In the corners of a cube there are 4 atoms of nickel and 4 atoms of oxygen of methoxy groups. The nickel atoms are characterized by a slightly distorted octahedral environment, which consists of three oxygen atoms of methoxy groups, carbonylic and phosphorylic oxygen atoms of the ligand L-, and an oxygen atom of a methanol molecule. The ligands L- coordinate to the metal ion forming a chelate via the oxygen atoms of carbonylic and phosphorylic groups.

scholarly journals Structural and Spectroscopic Properties of Two New Isostructural Complexes of Lapacholate with Cobalt and Copper

2012 ◽  
Vol 2012 ◽  
pp. 1-6 ◽  
Author(s):  
R. A. Farfán ◽  
J. A. Espíndola ◽  
M. I. Gomez ◽  
M. C. L. de Jiménez ◽  
M. A. Martínez ◽  
...  
Keyword(s):  
Electronic Absorption Spectra ◽  
Spectroscopic Properties ◽  
Molecular Structures ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Phenol Oxygen ◽  
Oxygen Atoms

The molecular structures of two isostructural complexes of lapacholate (Lap) anion and dimethylformamide (DMF), M(Lap)2(DMF)2 with M: Co Cu, were determined by X-ray diffraction methods. The substances crystallize in the triclinic space group P1¯ with one molecule per unit cell and cell constants a=7.7591(3), b=10.3560(3), c=11.2224(4) Å, α=95.110(2), β=94.310(2), and γ=107.704(2)° for the Co complex and a=7.9308(2), b=10.0033(4), c=10.7508(4), α=97.387(2), β=93.621(2), and γ=103.980(2)° for the Cu complex. The structures were solved from 2933 (Co) and 2888 (Cu) reflections with I>2σ (I) and refined by full matrix least squares to agreement R1-factors of 0.041 (Co) and 0.033 (Cu). The metal M(II) ion is sited on a crystallographic inversion center in a MO6 distorted octahedral environment. This ion is coordinated equatorially to two lapacholate anions through their adjacent carbonyl and phenol oxygen atoms [M–O bond distances of 2.134(1) and 2.008(1) Å (Co) and 2.301(1) and 1.914(1) Å (Cu)] and axially to two DMF molecules through oxygen atoms [M–O bond lengths of 2.143(1) Å (Co) and 2.069(1) Å (Cu)]. The solid state IR transmittance and solution electronic absorption spectra of both Co and Cu compounds are also reported and compared to each other and to the corresponding spectra of other members of the lapacholate metal family of complexes.

A mixed-ligand dihydrobis(2-mercapto-4-methylthiazolyl)borate) bismuth complex: [Bi(btMe)(phen)Cl2]

2015 ◽  
Vol 70 (3) ◽  
pp. 203-206 ◽  
Author(s):  
Muhammad Imran ◽  
Beate Neumann ◽  
Norbert W. Mitzel
Keyword(s):  
Nuclear Magnetic Resonance ◽  
Magnetic Resonance ◽  
Mixed Ligand ◽  
Resonance Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Bismuth Complex ◽  
Phenanthroline Ligand

Abstract[Bi(btMe)(phen)Cl2] (btMe = dihydrobis(2-mercapto-4-methylthiazolyl)borate), a mixed-ligand bismuth complex, was prepared from BiCl3, phenanthroline and Na(btMe) and characterized by nuclear magnetic resonance spectroscopy as well as single-crystal X-ray diffraction. It possesses a BiS2N2Cl2 core with distorted octahedral environment constituted by two sulfur atoms of the dipodal boron-centered soft ligand (btMe)–, two nitrogen atoms of the phenanthroline ligand and two chloro ligands.

scholarly journals Synthesis and structural analysis of cis-bis(1,10-phenanthroline)dicarbonyl ruthenium(II) 1.72-trifluoromethanesulfonate 0.28-hexafluoridophosphate

2021 ◽  
Vol 12 (4) ◽  
pp. 389-393
Author(s):  
Tsugiko Takase ◽  
Dai Oyama
Keyword(s):  
Molecular Structure ◽  
Asymmetric Unit ◽  
X Ray Diffraction ◽  
Carbonyl Carbon ◽  
X Ray ◽  
Carbonyl Ligands ◽  
Octahedral Environment ◽  
Ruthenium Atom ◽  
Distorted Octahedral ◽  
First Time

Ruthenium(II) complexes containing both 1,10-phenanthroline (Phen) and carbonyl (CO) ligands are important molecules for various applications including catalysis. In this work, the molecular structure of [Ru(Phen)2(CO)2]2+ was determined via X-ray diffraction analysis for the first time. The complex exhibits substitutional disorder of one of counter-anions in the asymmetric unit, with different occupancies for CF3SO3- (0.72) and PF6- (0.28). The ruthenium atom is coordinated in a distorted octahedral environment by two carbonyl carbon atoms and four nitrogen atoms from bis-Phen ligands. The cation displays a cis configuration of the carbonyl ligands. Several hydrogen bonds and π-π interactions are present in the crystal. In addition to structural characterization, IR spectral data for the complex is compared with calculated values. These results provide fundamental data for understanding various properties of related ruthenium complexes.

Synthesis and structural characterization of two copper(II) complexes with 3-(4-(1H-benzo[d]imidazol-1-yl)-4-methoxyphenyl)-1-phenylprop- 2-en-1-one ligands

2015 ◽  
Vol 70 (3) ◽  
pp. 165-169 ◽  
Author(s):  
Gao-Feng Wang
Keyword(s):  
Infrared Spectroscopy ◽  
Single Crystal ◽  
Structural Characterization ◽  
X Ray Diffraction ◽  
Distorted Octahedral Environment ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Elemental Analyses

AbstractThe synthesis of two new copper(II) complexes with benzimidazole type ligands, Cu(tta)2(L1)2 (1) and Cu(tta)2(L1) (2) (where L1 is 3-(4-(1H-benzo[d]imidazol-1-yl)-4-methoxy phenyl)-1-phenylprop-2-en-1-one; tta is 2-thenoyltrifluoroacetonate), are reported. Their structures have been characterized by infrared spectroscopy, elemental analyses and single-crystal X-ray diffraction. The copper(II) ion of 1 is in a distorted octahedral environment, while that of 2 is in a distorted square-pyramidal environment. In both cases, the donor atoms are provided by oxygen atoms of the tta ligands and nitrogen atoms of the L1 ligands.

scholarly journals Formation of Unsymmetrical Trinuclear Metallamacrocycles Based on Two Different Cone Calix[4]arene Macrocyclic Rings

Crystals ◽  
2020 ◽  
Vol 10 (5) ◽  
pp. 364 ◽  
Author(s):  
Mariia V. Kniazeva ◽  
Alexander S. Ovsyannikov ◽  
Daut R. Islamov ◽  
Aida I. Samigullina ◽  
Aidar T. Gubaidullin ◽  
...  
Keyword(s):  
Single Crystal ◽  
Coordination Compounds ◽  
Metallic Cluster ◽  
X Ray Diffraction ◽  
X Ray ◽  
Recognition Pattern ◽  
Carboxylate Groups ◽  
Different Types ◽  
Solvent Molecules ◽  
Oxygen Atoms

A combination of tetrasulfonylcalix[4]arene (3-4H) together with a calix[4]arene dicarboxylate derivative 2-4H led, in the presence of MII(NO3)2 (M = Co, Ni, Zn), to the formation of three novel isostructural metallomacrocycles of formula [M3(DMF)2(μ3-H2O)-(2-2H)-3]. The structure of the prepared coordination compounds was studied in the solid state using single crystal/powder X-ray diffraction studies. The X-ray diffraction on single crystal revealed that the structure of the obtained supramolecular complexes is composed of a trinuclear metallic cluster [M3]+6 held between one di-deprotonated molecule of (2-2H)2− offering two carboxylate groups for binding metal cations and one tetra-deprotonated compound 34−, where four oxygen atoms, belonging to four deprotonated phenolic moieties and three oxygen atoms coming from three SO2 groups, are coordinated with the cluster core. Thus, an example of an easily reproducible molecular recognition pattern involving two different types of calix[4]arene based ligands, displaying different coordination moieties, and trinuclear metallic clusters, is reported here. In addition, it has been shown that the cone moieties of the calixarene also encapsulate solvent molecules.

Structure and Stability of a Linear Trinuclear Cobalt(II) Complex: Co3(PhCH=CHCO2)6(bpy)2

2008 ◽  
Vol 63 (2) ◽  
pp. 129-133 ◽  
Author(s):  
Xian-Wen Wang ◽  
Ying Chen ◽  
Jing-Zhong Chen ◽  
Jian-Hong Liu ◽  
Lei Han
Keyword(s):  
X Ray Diffraction ◽  
Linear Arrangement ◽  
Triclinic Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Hydrogen Bonding Interactions ◽  
Octahedral Environment ◽  
Carboxylate Groups ◽  
Distorted Octahedral Coordination Geometry ◽  
Distorted Octahedral

A trinuclear cobalt(II) complex, [Co3(PhCH=CHCO2)6(bpy)2] (1) (bpy = 2,2-bipyridine), was synthesized and structurally characterized by single crystal X-ray diffraction. Complex 1 crystallizes in the triclinic space group P1 with cell parameters: a = 11.347(6), b = 11.471(6), c = 14.247(8) Å , α = 69.503(9), β = 74.211(9), γ = 76.812(11)°, V = 1653.2(15) Å3, Z = 1, and R1(F) = 0.026, wR2(F2) = 0.138. Complex 1 has a linear arrangement of three Co(II) centers bridged by six cinnamate carboxylate groups, four of which function in a bidentate syn-syn fashion linking the peripheral Co2 atoms, and two as both bidentate bridging and bidentate chelating units. The Co1 atom is located on a crystallographic inversion center and exhibits a slightly distorted octahedral coordination geometry, while the terminal Co atoms (Co2 and Co2#1) have a significantly distorted octahedral environment. Hydrogen bonding interactions and π-π stacking interactions stabilize the structure

Darstellung, Kristallstruktur und Infrarotspektrum von [MoNCl3 · POCl3]4/Preparation, Crystal Structure and Infrared Spectrum of [MoNCl3 · POCl3]4

1978 ◽  
Vol 33 (11) ◽  
pp. 1347-1351 ◽  
Author(s):  
Joachim Strähle ◽  
Ulrich Weiher ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Oxygen Atom ◽  
Infrared Spectrum ◽  
Ir Spectrum ◽  
Triple Bond ◽  
Monoclinic Space Group ◽  
X Ray Diffraction ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

Abstract [MoNCl3 · POCl3]4 is prepared both by the reaction of MoNCl3 with POCl3 as well as by the reaction of MoCl5 with NCl3 in the presence of POCl3. [MoNCl3 · POCl3]4 crystallizes in the monoclinic space group P21/c with 2 tetrameric molecules in the unit cell. The crystal structure was solved by X-ray diffraction methods (R = 0.033, 1821 observed reflections). The structure consists of planar and almost square Mo4N4-eight-membered rings with alternating Mo-N bond lengths. The distorted octahedral environment of the molybdenum atoms is completed by three terminal Cl-ligands and by the oxygen atom of a POCl3 molecule, which is coordinated trans to the Mo ≡ N triple bond. The IR spectrum is discussed with respect to the vibrational spectra of the isoelectronic niobium complex [NbOCl3 · POCl3]4.

Synthesis and Characterization of a Zinc(II) Complex of Bispicen

2013 ◽  
Vol 68 (12) ◽  
pp. 1327-1332 ◽  
Author(s):  
Beatriz S. Parajón-Costa ◽  
Gustavo A. Echeverría ◽  
Oscar E. Piro ◽  
Enrique J. Baran
Keyword(s):  
Crystal And Molecular Structure ◽  
Chloride Ion ◽  
Monoclinic Space Group ◽  
Tetradentate Ligand ◽  
X Ray Diffraction ◽  
Amine Nitrogen ◽  
X Ray ◽  
Octahedral Environment ◽  
Distorted Octahedral

The synthesis of a Zn(II) complex of bispicen, the tetradentate ligand N,N′-bis(2-pyridylmethyl)- ethylenediamine, of composition [Zn(bispicen)Cl(H2O)]2[ZnCl4] is reported. Its crystal and molecular structure was determined by single-crystal X-ray diffraction methods. It crystallizes in the monoclinic space group C2=c with Z =4 molecules per unit cell. The Zn(II) cation in the [Zn(bispicen)Cl(H2O)]+ complex is in a distorted octahedral environment, coordinated to a neutral bispicen molecule acting as a tetradentate ligand through its two amine nitrogen atoms, at cis positions, and its two pyridyl N atoms, at trans positions. The six-fold coordination is completed by a chloride ion and a water molecule. The tetrahedral [ZnCl4]2- counter-ion lies on a crystallographic twofold axis. The complex was further characterized by FTIR spectroscopy, and its vibrational behavior compared with that of the dihydrated tetrahydrochloride of free bispicen

syn and anti conformations in 2-hydroxy-5-[(E)-(4-nitrophenyl)diazenyl]benzoic acid and two related salts

2014 ◽  
Vol 70 (5) ◽  
pp. 493-497 ◽  
Author(s):  
Alexandr V. Yatsenko ◽  
Ksenia A. Paseshnichenko
Keyword(s):  
Density Functional Theory ◽  
Benzoic Acid ◽  
Density Functional ◽  
X Ray Diffraction ◽  
Functional Theory ◽  
X Ray ◽  
Octahedral Environment ◽  
Carboxylate Groups ◽  
Distorted Octahedral ◽  
Benzene Rings

The crystal structures of 2-hydroxy-5-[(E)-(4-nitrophenyl)diazenyl]benzoic acid, C13H9N3O5, (I), ammonium 2-hydroxy-5-[(E)-phenyldiazenyl]benzoate, NH4 +·C13H9N2O3 −, (II), and sodium 2-hydroxy-5-[(E)-(4-nitrophenyl)diazenyl]benzoate trihydrate, Na+·C13H8N3O5 −·3H2O, (III), have been determined using single-crystal X-ray diffraction. In (I) and (III), the phenyldiazenyl and carboxylic acid/carboxylate groups are in an anti orientation with respect to each other, which is in accord with the results of density functional theory (DFT) calculations, whereas in (II), the anion adopts a syn conformation. In (I), molecules form slanted stacks along the [100] direction. In (II), anions form bilayers parallel to (010), the inner part of the bilayers being formed by the benzene rings, with the –OH and –COO− substituents on the bilayer surface. The NH4 + cations in (II) are located between the bilayers and are engaged in numerous N—H...O hydrogen bonds. In (III), anions form layers parallel to (001). Both Na+ cations have a distorted octahedral environment, with four octahedra edge-shared by bridging water O atoms, forming [Na4(H2O)12]4+ units.

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