scholarly journals Crystal structure and electrochemical properties of [Ni(bztmpen)(CH3CN)](BF4)2{bztmpen isN-benzyl-N,N′,N′-tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}

2017 ◽  
Vol 73 (6) ◽  
pp. 825-828
Author(s):  
Lin Chen ◽  
Gan Ren ◽  
Yakun Guo ◽  
Ge Sang
Keyword(s):  
Crystal Structure ◽  
Electrochemical Properties ◽  
Catalytic Reaction ◽  
Room Temperature ◽  
Title Complex ◽  
Methyl Substituent ◽  
Coordination Environment ◽  
Acetonitrile Molecule ◽  
Redox Couples ◽  
Open Site

The mononuclear nickel title complex (acetonitrile-κN){N-benzyl-N,N′,N′-tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}nickel(II) bis(tetrafluoridoborate), [Ni(C30H35N5)(CH3CN)](BF4)2, was prepared from the reaction of Ni(BF4)2·6H2O withN-benzyl-N,N′,N′-tris[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine (bztmpen) in acetonitrile at room temperature. With an open site occupied by the acetonitrile molecule, the nickel(II) atom is chelated by five N-atom sites from the ligand and one N atom from the ligand, showing an overall octahedral coordination environment. Compared with analogues where the 6–methyl substituent is absent, the bond length around the Ni2+cation are evidently longer. Upon reductive dissociation of the acetronitrile molecule, the title complex has an open site for a catalytic reaction. The title complex has two redox couples at −1.50 and −1.80 V (versus Fc+/0) based on nickel. The F atoms of the two BF4−counter-anions are split into two groups and the occupancy ratios refined to 0.611 (18):0.389 (18) and 0.71 (2):0.29 (2).

scholarly journals Crystal structure of [Cu(tmpen)](BF4)2{tmpen isN,N,N′,N′-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine}

2017 ◽  
Vol 73 (4) ◽  
pp. 640-643
Author(s):  
Lin Chen ◽  
Yakun Guo ◽  
Gan Ren ◽  
Ge Sang
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Title Complex ◽  
Site Symmetry ◽  
Methyl Substituent ◽  
Cation Site ◽  
Distorted Octahedral Environment ◽  
Octahedral Environment ◽  
Distorted Octahedral ◽  
Pyridine Group

The mononuclear copper title complex {N,N,N′,N′-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine-κ6N}copper(II) bis(tetrafluoridoborate), [Cu(C30H36N6)](BF4)2, is conveniently prepared from the reaction of Cu(BF4)2·6H2O withN,N,N′,N′-tetrakis[(6-methylpyridin-2-yl)methyl]ethane-1,2-diamine (tmpen) in acetonitrile at room temperature in air. The complex shows a distorted octahedral environment around the CuIIcation (site symmetry 2) and adopts the centrosymmetric space groupC2/c. The presence of the 6-methyl substituent hinders the approach of the pyridine group to the CuIIcore. The bond lengths about the CuIIatom are significantly longer than those of analogues without the 6-methyl substituents.

scholarly journals Synthesis and crystal structure of [Pd{C6H4(CH2NHCH2Ph)-2-κ2C,N}(μ-I)]2

2017 ◽  
Vol 73 (11) ◽  
pp. 1612-1615
Author(s):  
Delia Bautista ◽  
Sergio J. Benitez-Benitez
Keyword(s):  
Crystal Structure ◽  
Significant Influence ◽  
Title Complex ◽  
Asymmetric Unit ◽  
Coordination Environment ◽  
Synthesis And Crystal Structure ◽  
Square Planar ◽  
Intermolecular Contacts ◽  
Type C ◽  
Methyl Phenyl

The binuclear title complex, di-μ-iodido-bis({2-[(benzylamino-κN)methyl]phenyl-κC1}palladium(II)), [Pd2I2(C14H14N)2], was prepared by reaction of [Pd{C6H4(CH2NHCH2Ph)-2}(μ-OAc)]2with NaI. It crystallizes with one discrete molecule in the asymmetric unit. The molecule presents an iodide-bridged dimeric structure with acisoidarrangement with respect to theC,N-cyclopalladated ligands. Both PdIIatoms have a slightly distorted square-planar coordination environment. Weak intermolecular contacts of the type C—H...Pd seem to have a significant influence on the arrangement of the molecules along thebaxis in the crystal.

scholarly journals Crystal structure of tetraaquabis(1,3-dimethyl-2,6-dioxo-7H-purin-7-ido-κN7)cobalt(II)

2017 ◽  
Vol 73 (9) ◽  
pp. 1302-1304 ◽  
Author(s):  
Hicham El Hamdani ◽  
Mohammed El Amane ◽  
Carine Duhayon
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Title Complex ◽  
Water Molecules ◽  
Supramolecular Network ◽  
Coordination Environment ◽  
Distorted Octahedral Coordination ◽  
Distorted Octahedral ◽  
Intramolecular Hydrogen ◽  
Distorted Octahedral Coordination Environment

The title complex, [Co(C7H7N4O2)2(H2O)4], comprises mononuclear molecules consisting of a CoIIion, two deprotonated theophylline ligands (systematic name: 1,3-dimethyl-7H-purine-2,6-dione) and four coordinating water molecules. The CoIIatom lies on an inversion centre and has a slightly distorted octahedral coordination environment, with two N atoms of twotrans-oriented theophylline ligands and the O atoms of four water molecules. An intramolecular hydrogen bond stabilizes this conformation. A three-dimensional supramolecular network structure is formed by intermolecular O—H...O and O—H...N hydrogen bonds.

Tris(3,3′-diamino-2,2′-bipyridine)zinc(II) dinitrate

2007 ◽  
Vol 63 (11) ◽  
pp. m2668-m2668 ◽  
Author(s):  
Chang-Ju Wu ◽  
Ju-Na Chen ◽  
Jing-Min Shi
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Complex ◽  
Octahedral Coordination ◽  
Nitrate Anion ◽  
Two Dimensional ◽  
Threefold Axis ◽  
Coordination Environment ◽  
Dimensional Network

In the title complex, [Zn(C10H10N4)3](NO3)2, the six-coordinate ZnII atom lies at the intersection of three twofold axes in a slightly disorted octahedral coordination environment. The N atom of a nitrate anion is located on a threefold axis. In the crystal structure, intermolecular N—H...N and N—H...O hydrogen bonds between cations and anions form a two-dimensional network perpendicular to the c axis.

(μ-1,2-Dimethoxyethane-κ2O:O′)bis[(1,2-dimethoxyethane-κ2O,O′)tris(1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olato-κ2O,O′)cerium(III)]

2012 ◽  
Vol 68 (4) ◽  
pp. m100-m103 ◽  
Author(s):  
Elisabeth M. Fatila ◽  
Michael C. Jennings ◽  
Alan Lough ◽  
Kathryn E. Preuss
Keyword(s):  
Crystal Structure ◽  
Coordination Number ◽  
Previous Analysis ◽  
Structural Data ◽  
Title Complex ◽  
Inversion Center ◽  
Dalton Trans ◽  
Coordination Environment ◽  
H Nmr ◽  
Binuclear Species

A previous analysis [Fatilaet al.(2012).Dalton Trans.41, 1352–1362] of the title complex, [Ce2(C5HF6O2)6(C4H10O2)3], had identified it as Ce(hfac)3(dme)1.5according to the1H NMR integration [hfac = 1,1,1,5,5,5-hexafluoroacetylacetonate (1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate) and dme = 1,2-dimethoxyethane]; however, it was not possible to determine the coordination environment unambiguously. The structural data presented here reveal that the complex is a binuclear species located on a crystallographic inversion center. Each CeIIIion is coordinated to three hfac ligands, one bidentate dme ligand and one monodentate (bridging) dme ligand, thus giving a coordination number of nine (CN = 9) to each CeIIIion. The atoms of the bridging dme ligand are unequally disordered over two sets of sites. In addition, in two of the –CF3groups, the F atoms are rotationally disordered over two sets of sites. This is the first crystal structure of a binuclear lanthanide β-diketonate with a bridging dme ligand.

scholarly journals Crystal structure of [butane-2,3-dione bis(4-methylthiosemicarbazonato)-κ4S,N1,N1′,S′](pyridine-κN)zinc(II)

2015 ◽  
Vol 71 (11) ◽  
pp. 1349-1351 ◽  
Author(s):  
Oliver C. Brown ◽  
Derek A. Tocher ◽  
Philip J. Blower ◽  
Michael J. Went
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Complex ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Best Fit

In the structure of the title complex, [Zn(C8H14N6S2)(C5H5N)], the ZnIIion has a pseudo-square-pyramidal coordination environment and is displaced by 0.490 Å from the plane of best fit defined by the bis(thiosemicarbazonate) N2S2donor atoms. Chains sustained by intermolecular N—H...N and N—H...S hydrogen-bonding interactions extend parallel to [10-1].

scholarly journals [1,2-Bis(diisopropylphosphanyl)ethane-κ2 P,P′](2-fluoro-N-{[(2-fluorophenyl)azanidyl]carbonyl}anilinido-κ2 N,N′)nickel(II)

IUCrData ◽  
2020 ◽  
Vol 5 (5) ◽  
Author(s):  
Marcos Flores-Alamo ◽  
Francisco J. Perez-Ortiz ◽  
Alma Arevalo ◽  
Juventino J. Garcia
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Title Compound ◽  
Title Complex ◽  
Coordination Environment ◽  
Hydrogen Bonding Interactions ◽  
Square Planar ◽  
Derivatives Of

The molecular structure of the title complex, [Ni(C13H8F2N2O)(C14H32P2)] or Ni(oFPU)(dippe), where oFPU is the dianion of bis(2-fluorophenyl)urea and dippe is 1,2-bis(di-isopropylphosphino)ethane, comprises an NiII atom with a distorted square-planar coordination environment (geometry index τ4 = 0.195). One of the fluorophenyl rings of the oFPU ligand is disordered over two sets of sites in an 0.832 (7):0.168 (7) ratio. The crystal structure displays C—H...O and C—H...F hydrogen-bonding interactions, leading to chains with R 2 2(12) motifs extending parallel to [100]. The title compound might be of interest with respect to the production of urea and carbamate derivatives of nickel(II).

scholarly journals Crystal structure of bis{1-[(E)-(2-methoxyphenyl)diazenyl]naphthalen-2-olato-κ3O,N2,O′}copper(II) containing an unknown solvate

2015 ◽  
Vol 71 (11) ◽  
pp. m207-m208 ◽  
Author(s):  
Souheyla Chetioui ◽  
Noudjoud Hamdouni ◽  
Djamil-Azzeddine Rouag ◽  
Salah Eddine Bouaoud ◽  
Hocine Merazig
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Electron Density ◽  
Title Complex ◽  
Unit Cell ◽  
Asymmetric Unit ◽  
Acta Cryst ◽  
Coordination Environment ◽  
Independent Molecules ◽  
Solvent Molecules

The title complex, [Cu(C17H13N2O2)2], crystallizes with two independent molecules in the asymmetric unit. Each CuIIatom has a distorted ocahedral coordination environment defined by two N atoms and four O atoms from two tridentate 1-[(E)-(2-methoxyphenyl)diazenyl]naphthalen-2-olate ligands. In the crystal, the two molecules are linkedviaweak C—H...O hydrogen bonds which in turn stack parallel to [010]. A region of disordered electron density, most probably disordered methanol solvent molecules, was corrected for using the SQUEEZE routine inPLATON[Spek (2015).Acta Cryst.C71, 9–18]. Their formula mass and unit-cell characteristics were not taken into account during refinement.

scholarly journals Crystal structure of [μ2-3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-dithiolato-κ4S:S′:S:S′]bis[tricarbonyliron(I)](Fe—Fe)

2015 ◽  
Vol 71 (11) ◽  
pp. 1296-1299 ◽  
Author(s):  
Peihua Zhao ◽  
Jeffery A. Bertke ◽  
Thomas B. Rauchfuss
Keyword(s):  
Crystal Structure ◽  
Intermolecular Interactions ◽  
Title Complex ◽  
Carbonyl Groups ◽  
Coordination Environment ◽  
Metal Atoms ◽  
Thiolate Ligand

The title complex, [Fe2(C8H12S3)(CO)6] or [{Fe(CO)3}2(μ-L)] [L= 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolato)], consists of two Fe(CO)3moieties double-bridged by a dithiolate ligand. Each of the two FeIatoms has a distorted anti-prismatic coordination environment consisting of three carbonyl groups, two S atoms of the dithiolate ligand and the neighboring FeIatom [Fe—Fe = 2.4921 (4) Å]. Weak C—H...O intermolecular interactions result in the formation of dimers. This is the second crystal structure reported with the 3,3-dimethyl-4-(propan-2-ylidene)thietane-2,2-bis(thiolate) ligand and the first in which it bridges two metal atoms.

scholarly journals Crystal structure of (acetonitrile-κN)iodido(2-(naphthalen-1-yl)-6-{1-[(2,4,6-trimethylphenyl)imino]ethyl}pyridine-κ2N,N′)copper(I)

2016 ◽  
Vol 72 (12) ◽  
pp. 1845-1847
Author(s):  
Nada Al-Najjar ◽  
Gregory A. Solan ◽  
Kuldip Singh
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Title Complex ◽  
Tetrahedral Coordination ◽  
Pyridine Ligand ◽  
Complex Molecules ◽  
Coordination Environment ◽  
Dimensional Network ◽  
Distorted Tetrahedral Coordination

In the mononuclear title complex, [CuI(C2H3N)(C26H24N2)], the CuIion has a distorted tetrahedral coordination environment, defined by two N atoms of the chelating 2-(naphthalen-1-yl)-6-[(2,4,6-trimethylphenyl)imino]pyridine ligand, one N atom of an acetonitrile ligand and one iodide ligand. Within the complex, there are weak intramolecular C—H...N hydrogen bonds, while weak intermolecular C—H...I interactions between complex molecules, help to facilitate a three-dimensional network.

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