Crystal structure and magnetic properties of a linear tetranuclear CoIIcluster

2016 ◽  
Vol 72 (9) ◽  
pp. 697-700
Author(s):  
Yingying Wang ◽  
Meixia Wen ◽  
Zhongjun Gao ◽  
Ning Sheng
Keyword(s):  
Complex Molecule ◽  
Exchange Interactions ◽  
Functional Materials ◽  
Molecular Magnets ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Synthetic Strategy ◽  
Trigonal Bipyramidal ◽  
Distorted Octahedral

Polynuclear complexes are an important class of inorganic functional materials and are of interest particularly for their applications in molecular magnets. Multidentate chelating ligands play an important role in the design and syntheses of polynuclear metal clusters. A novel linear tetranuclear CoIIcluster, namely bis{μ3-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis{μ2-(E)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II), [Co4(C14H11NO2)4(C12H8N2)2], was prepared under solvothermal conditions through a mixed-ligand synthetic strategy. The structure was determined by X-ray single-crystal diffraction and bulk purity was confirmed by powder X-ray diffraction. The complex molecule has a centrosymmetric tetranuclear chain-like structure and the four CoIIions are located in two different coordination environments. The CoIIions at the ends of the chain are in a slightly distorted octahedral geometry, while the two inner CoIIions are in five-coordinate distorted trigonal bipyramidal environments. A magnetic study reveals ferromagnetic CoII...CoIIexchange interactions for the complex.

Reaction of 2-[(2-aminoethyl)amino]ethanol with pyridine-2-carbaldehyde and complexation of the products with CuII and CdII along with docking studies

2019 ◽  
Vol 75 (7) ◽  
pp. 951-959 ◽  
Author(s):  
Zahra Mardani ◽  
Mohammad Hakimi ◽  
Keyvan Moeini ◽  
Fabian Mohr
Keyword(s):  
Crystal Packing ◽  
Docking Studies ◽  
Molar Ratio ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
Donor Ligand ◽  
X Ray ◽  
H Nmr ◽  
Distorted Octahedral ◽  
Ft Ir

The reaction between 2-[2-(aminoethyl)amino]ethanol and pyridine-2-carbaldehyde in a 1:2 molar ratio affords a mixture containing 2-({2-[(pyridin-2-ylmethylidene)amino]ethyl}amino)ethanol (PMAE) and 2-[2-(pyridin-2-yl)oxazolidin-3-yl]-N-(pyridin-2-ylmethylidene)ethanamine (POPME). Treatment of this mixture with copper(II) chloride or cadmium(II) chloride gave trichlorido[(2-hydroxyethyl)({2-[(pyridin-2-ylmethylidene)amino]ethyl})azanium]copper(II) monohydrate, [Cu(C10H16N3O)Cl3]·H2O or [Cu(HPMAE)Cl3]·H2O, 1, and dichlorido{2-[2-(pyridin-2-yl)oxazolidin-3-yl]-N-(pyridin-2-ylmethylidene)ethanamine}cadmium(II), [CdCl2(C16H18N4O)] or [CdCl2(POPME)], 2, which were characterized by elemental analysis, FT–IR, Raman and 1H NMR spectroscopy and single-crystal X-ray diffraction. PMAE is potentially a tetradentate N3O-donor ligand but coordinates to copper here as an N2 donor. In the structure of 1, the geometry around the Cu atom is distorted square pyramidal. In 2, the Cd atom has a distorted octahedral geometry. In addition to the hydrogen bonds, there are π–π stacking interactions between the pyridine rings in the crystal packing of 1 and 2. The ability of PMAE, POPME and 1 to interact with ten selected biomolecules (BRAF kinase, CatB, DNA gyrase, HDAC7, rHA, RNR, TrxR, TS, Top II and B-DNA) was investigated by docking studies and compared with doxorubicin.

Synthesis, Characterization, and Ethylene Oligomerization and Polymerization by 2-Quinoxalinyl-6-iminopyridine Chromium Chlorides

2008 ◽  
Vol 61 (5) ◽  
pp. 397 ◽  
Author(s):  
Saliu A. Amolegbe ◽  
Maliha Asma ◽  
Min Zhang ◽  
Gang Li ◽  
Wen-Hua Sun
Keyword(s):  
High Selectivity ◽  
Ethylene Oligomerization ◽  
Distorted Octahedral Geometry ◽  
Electronic Effects ◽  
X Ray Diffraction ◽  
Reaction Conditions ◽  
Co Catalyst ◽  
X Ray ◽  
Catalytic Activities ◽  
Distorted Octahedral

A series of chromium(iii) complexes ligated by N^N^N tridentate 2-quinoxalinyl-6-iminopyridine were synthesized and characterized by elemental analysis and infrared spectroscopy. Single-crystal X-ray diffraction analysis for the structure of complex C3 reveals a distorted octahedral geometry. When methylaluminoxane was employed as the co-catalyst, the chromium complexes showed high activities for ethylene oligomerization and polymerization. The distribution of oligomers obtained followed Schulz–Flory rules with high selectivity for α-olefins. Both steric and electronic effects of coordinated ligands affected the catalytic activities as well as the properties of the catalytic products. The parameters of the reaction conditions were also investigated to explore the optimum catalytic potentials of these complexes.

scholarly journals Preparation and Structures of Ternary Copper(II) Complexes of ADP and ATP Models for Enzyme-Metal Ion-Nucleoside Polyphosphate Complexes

1982 ◽  
Vol 37 (7) ◽  
pp. 863-871 ◽  
Author(s):  
William S. Sheldrick
Keyword(s):  
Metal Ion ◽  
Basic Structure ◽  
Axial Position ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
Bidentate Coordination ◽  
X Ray ◽  
Ph Values ◽  
Distorted Octahedral ◽  
The Third Terminal

AbstractThe stable ternary copper(II) complexes of ATP and ADP, [Cu(H2ATP)(phen)]2 · 7 H2O (2) and [Cu4(HADP)2(bipy)4(H2O)2(NO3)2] · 2 NO3 (3), have been isolated from aqueous solution at respective pH values of 2.8 and 4.0. Their structures have been established by single crystal X-ray diffraction. Tridentate coordination of each of the Cu atoms by ono α-, one β- and one γ-phosphate O atom of one ATP molecule is observed in 2. The binding Oα atoms occupy axial positions in a distorted octahedral geometry at Cu and the Cu- Oα interactions are weak. The other axial position is occupied by a γ-phosphate O atom of the second ATP molecule, leading to a dimeric structure. The basic structure of 3 is similar with, in this case, bidentate coordination of each of the central Cu atoms by one α- and one β-phosphate O atom of ono ADP molecule. In this case, however, the third terminal β-phosphate O atoms each bind a further Cu atom. All four Cu atoms in 3 display square pyramidal coordination. The structures of 2 and 3 are stabilised by intramolecular stacking of adenine and phenanthroline/bipyridyl systems. The significance of these structures as models for enzyme-metal ion-nucleoside polyphosphate complexes is discussed.

Two ZnIImononuclear coordination compounds with pyridinedicarboxylate and auxiliaryN-(pyridin-4-ylmethylidene)hydroxylamine ligands

2014 ◽  
Vol 70 (12) ◽  
pp. 1101-1104 ◽  
Author(s):  
Eduard B. Coropceanu ◽  
Ana Dreab ◽  
Lilia Croitor
Keyword(s):  
Single Crystal ◽  
Coordination Compounds ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
Coordination Geometry ◽  
X Ray ◽  
Trigonal Bipyramidal Coordination ◽  
Trigonal Bipyramidal ◽  
Distorted Octahedral

Two new mononuclear coordination compounds, bis{4-[(hydroxyimino)methyl]pyridinium} diaquabis(pyridine-2,5-dicarboxylato-κ2N,O2)zincate(II), (C6H7N2O)2[Zn(C7H3NO4)2(H2O)2], (1), and (pyridine-2,6-dicarboxylato-κ3O2,N,O6)bis[N-(pyridin-4-ylmethylidene-κN)hydroxylamine]zinc(II), [Zn(C7H3NO4)(C6H6N2O)2], (2), have been synthesized and characterized by single-crystal X-ray diffractometry. The centrosymmetric ZnIIcation in (1) is octahedrally coordinated by two chelating pyridine-2,5-dicarboxylate ligands and by two water molecules in a distorted octahedral geometry. In (2), the ZnIIcation is coordinated by a tridentate pyridine-2,6-dicarboxylate dianion and by twoN-(pyridin-4-ylmethylidene)hydroxylamine molecules in a distortedC2-symmetric trigonal bipyramidal coordination geometry.

Synthesis and Structural Aspects of Two Trinuclear Cyano-bridged Heterometallic Complexes with Monodentate Coordination of Perchlorate and Acetate Anions

2010 ◽  
Vol 65 (9) ◽  
pp. 1106-1112
Author(s):  
Amitabha Datta ◽  
Sébastien Pillet ◽  
Nien-Tsu Chuang ◽  
Hon Man Lee ◽  
Jui-Hsien Huang
Keyword(s):  
Octahedral Geometry ◽  
Heterometallic Complexes ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Distorted Octahedral ◽  
Molecular Stability ◽  
Hydrogen Bonding Networks ◽  
Monodentate Coordination ◽  
Structural Aspects

Two new cyano-bridged trinuclear heterometallic complexes [Ca2(phen)4(ClO4)(H2O)3- Fe(CN)6]・H2O (1) and [Ca2 (phen)4(CH3COO)(H2O)3Fe(CN)6]・2H2O (2) (where phen = 1,10- phenanthroline) have been synthesized and characterized by single-crystal X-ray diffraction techniques, IR spectroscopy and thermogravimetric analysis. The structure of complex 1 features a central [Fe(CN)6]3− unit that links a monocation [Ca(phen)2(H2O)(ClO4)]+ and a dication [Ca(phen)2- (H2O)2]2+ via two trans cyanide bridges. Similarly, complex 2 also features a central [Fe(CN)6]3− unit that links a monocation [Ca(phen)2(H2O)(CH3COO)]+ and a dication [Ca(phen)2(H2O)2]2+ via two trans cyanide bridges. In 1 and 2, both Ca centers are seven-coordinated and achieve a pentagonal- bipyramidal geometry whereas the Fe center in both the complexes possesses a distorted octahedral geometry. Intra- and intermolecular hydrogen bonding networks are present in 1 and 2 that impart the overall molecular stability to both the systems.

Syntheses, crystal structures, and characterization of two Mn(II) coordination polymers with bis(4-(1H-imidazol-1-yl)phenyl)methanone ligands

2016 ◽  
Vol 71 (8) ◽  
pp. 869-874 ◽  
Author(s):  
Gao-Feng Wang ◽  
Xiao Zhang ◽  
Shu-Wen Sun ◽  
Hong Sun ◽  
Xia Yang ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Single Crystal ◽  
Coordination Polymers ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Distorted Octahedral ◽  
Elemental Analyses

AbstractTwo Mn(II) complexes, {[Mn(BIPMO)2Cl2] · 2(H2O)}n (1) and {[Mn(BIPMO)2(SCN)2] · 2(CH3OH)}n (2) (BIPMO = bis(4-(1H-imidazol-1-yl)phenyl)methanone) with V-shaped BIPMO ligands, were synthesized and characterized by IR spectroscopy and elemental analyses along with their single-crystal X-ray diffraction analyses. The Mn(II) ions in 1 and 2 are both six-coordinated to four nitrogen atoms of four BIPMO ligands and two anions (Cl− for 1, and SCN− for 2) to form a distorted octahedral geometry.

scholarly journals Crystal structure of bis[(1-ammonio-1-phosphonoethyl)phosphonato]tetraaquacadmium dihydrate: a powder X-ray diffraction study

2015 ◽  
Vol 71 (4) ◽  
pp. 342-345 ◽  
Author(s):  
Mwaffak Rukiah ◽  
Thaer Assaad
Keyword(s):  
Complex Molecule ◽  
Three Dimensional ◽  
Distorted Octahedral Geometry ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Lattice Water ◽  
Dimensional Network ◽  
Distorted Octahedral ◽  
Ring Motif

In the title compound, [CdL2(H2O)4]·2H2O [L= (1-ammonio-1-phosphonoethyl)phosphonate, C2H8NO6P2−], the CdIIion is situated on an inversion centre being coordinated by four aqua molecules in the equatorial plane and two phosphonate O atoms from two deprotonatedLligands in the axial positions in a distorted octahedral geometry. The asymmetric unit contains one-half of the complex molecule and one lattice water molecule. The ligandLexists in a zwitterionic form, with a positive charge on the NH3group and a negative charge on the O atom of the non-coordinating phosphonate group, and with an intramolecular O—H...O interaction forming anS(6) ring motif and two intramolecular N—H...O interactions each generating anS(5) ring motif. In the crystal, N—H...O and O—H...O hydrogen bonds link the complex molecules into a three-dimensional network in which the voids of 38 Å3are filled with ordered lattice water molecules, which are also involved in O—H...O hydrogen bonding.

Synthesis and structural characterization of Mn(II) and Cu(II) complexes with bis(4-(1H-imidazol-1-yl)phenyl)methanone ligands

2017 ◽  
Vol 72 (1) ◽  
pp. 83-87 ◽  
Author(s):  
Gao-Feng Wang ◽  
Xiao Zhang ◽  
Zhao-Rong Liu ◽  
Yu-Chun Wang ◽  
Hong-Shi Jiang ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Octahedral Geometry ◽  
Helical Chain ◽  
Distorted Octahedral Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bridging Ligand ◽  
Distorted Octahedral ◽  
Elemental Analyses

AbstractTwo complexes, {Mn(hfac)2(BIPMO)}n (1), {Cu(hfac)2(BIPMO)}n (2) [hfac=1,1,1,5,5,5-hexafluoro-pentane-2,4-dionato(–), BIPMO=bis(4-(1H-imidazol-1-yl)phenyl)methanone], with the V-shaped ligands were synthesized and characterized by infrared spectroscopy, elemental analyses, along with single-crystal X-ray diffraction analyses. The X-ray diffraction studies have shown that the metal ions in 1 and 2 are both six-coordinated to two nitrogen atoms of two BIPMO ligands and four oxygen atoms of two hfac ligands to form a distorted octahedral geometry. Each BIPMO ligand acts as a bridging ligand to link two adjacent metal(II) atoms to form a helical chain in the crystal structure.

scholarly journals Octahedral CuII and NiII complexes manifesting with N′-[1-(pyridin-2-yl)ethylidene] acetohydrazide: Structural outlooks and spectral characteristics

2013 ◽  
Vol 11 (1) ◽  
pp. 116-122 ◽  
Author(s):  
Amitabha Datta ◽  
Jui-Hsien Huang ◽  
Jack Clegg ◽  
Pei-Hsin Liu ◽  
Sheng-Jie Chuang
Keyword(s):  
Room Temperature ◽  
Structural Investigation ◽  
Magnetic Moments ◽  
Spectral Characteristics ◽  
Distorted Octahedral Geometry ◽  
Central Metal Atom ◽  
Central Metal ◽  
X Ray Diffraction ◽  
X Ray ◽  
Distorted Octahedral

AbstractA tridentate hydrazone precursor, N′-[1-(pyridin-2-yl)ethylidene]acetohydrazide (L) (1:1 refluxed product of acetichydrazide and 2-acetylpyridine), produced two octahedral CuII and NiII derivatives, [CuL2]·NO3 (1) and [NiL2]·ClO4·H2O (2). Both are subjected to X-ray diffraction system, and structural investigation shows that the central metal atom (CuII or NiII) adopts a distorted octahedral geometry with N4O2 donor sets by coordination of a pair of independent hydrazone precursors. Besides X-ray study, IR and UV-vis spectra, thermal analysis and room temperature magnetic moments are utilized for establishing significant characteristics of both complexes. It is apparent that the M-Npyridine bonds are slightly longer than the M-Nimino bonds, Cu1-N1 and Cu1-N4 [2.300(2) and 2.038(2) Å] for 1 and Ni1-N1 and Ni1-N4 [2.075(2) and 2.084(1) Å] for 2, Cu1-N2 and Cu1-N5 [2.062(1) and 1.932(1) Å] for 1 and Ni1-N2 and Ni1-N5 [2.008(2) and 1.975(2) Å] for 2, respectively. As per our observation, the effective magnetic moment value (µeff) is found to be 1.77 B.M. for 1 and 3.06 BM for 2, respectively.

scholarly journals Synthesis, Crystal Structure and DNA-binding Properties of a Nickel(II) Complex with 2, 6-Bis(2-benzimidazolyl)pyridine

2010 ◽  
Vol 65 (11) ◽  
pp. 1334-1340 ◽  
Author(s):  
Huilu Wu ◽  
Xingcai Huang ◽  
Jingkun Yuan ◽  
Fan Kou ◽  
Guisheng Chen ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Dna Binding ◽  
Fluorescence Spectra ◽  
Distorted Octahedral Geometry ◽  
Spectral Measurements ◽  
X Ray Diffraction ◽  
Binding Properties ◽  
X Ray ◽  
Distorted Octahedral ◽  
Dna Binding Properties

A novel complex of nickel(II) picrate (pic) with the V-shaped ligand 2, 6-bis(2-benzimidazolyl) pyridine (bbp) was synthesized and characterized by elemental analysis, electrical conductivity, and IR and UV/Vis spectral measurements. The crystal structure of the nickel(II) complex ([Ni(bbp)2](pic)2·2DMF) has been determined by single-crystal X-ray diffraction. The Ni(II) cation is bonded to two bbp ligands through six nitrogen atoms, resulting in a distorted octahedral geometry. The DNA-binding properties of the nickel(II) complex were investigated by electronic absorption and fluorescence spectra and by viscosity measurements. The experimental results suggest that the nickel(II) complex binds to DNA in an intercalation mode.

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