scholarly journals Aspherical-Atom Modeling of Coordination Compounds by Single-Crystal X-ray Diffraction Allows the Correct Metal Atom To Be Identified

ChemPhysChem ◽  
2014 ◽  
Vol 16 (2) ◽  
pp. 412-419 ◽  
Author(s):  
Birger Dittrich ◽  
Claudia M. Wandtke ◽  
Alke Meents ◽  
Kevin Pröpper ◽  
Kartik Chandra Mondal ◽  
...  
Keyword(s):  
Single Crystal ◽  
Metal Atom ◽  
Coordination Compounds ◽  
X Ray Diffraction ◽  
X Ray

New Cu(II), Co(II), and Ni(II) complexes with thieno[2,3-b]pyridine and 2-methylthieno[2,3-b]pyridine as ligands: Synthesis and crystal structures

2009 ◽  
Vol 63 (3) ◽  
Author(s):  
Ján Halgaš ◽  
Viera Kolenová ◽  
Zuzana Števíková ◽  
Lucia Perašínová ◽  
Jozef Kožíšek
Keyword(s):  
Single Crystal ◽  
Diffraction Analysis ◽  
Crystal Structures ◽  
Elemental Analysis ◽  
Zinc Chloride ◽  
Coordination Compounds ◽  
Biological Activities ◽  
X Ray Diffraction ◽  
X Ray ◽  
Ft Ir

AbstractAlthough thienopyridines attract attention because of their biological activities, they have not been used as ligands in coordination compounds. Thieno[2,3-b]pyridine was prepared by known procedures; by reduction of 2-nitrothiophene, and reaction of the resulting 2-thienyl ammonium salt with malondialdehyde tetramethylacetal in the presence of zinc chloride. The same procedure was used for the preparation of a new derivative, 2-methylthieno[2,3-b]pyridine, starting from 2-methyl-5-nitrothiophene. The thienopyridines were used in the synthesis of coordination compounds. Chlorides, isothiocyanates, acetates, and chloroacetates of copper(II), nickel(II), or cobalt(II) were used as starting salts. The prepared complexes were characterized by elemental analysis and FT IR. Structures of the four complexes were determined by single-crystal X-ray diffraction analysis.

Eindimensionale Kupfer(II)-Koordinationspolymere: Kristall-Engineering durch variable Verknüpfungsmuster [1] / One Dimensional Copper(II) Coordination Polymers: Crystal Engineering through Variable Types of Linkage [1]

1997 ◽  
Vol 52 (1) ◽  
pp. 125-134 ◽  
Author(s):  
Rolf W. Saalfrank ◽  
Roland Harbig ◽  
Oliver Struck ◽  
Frank Hampel ◽  
Eva Maria Peters ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Single Crystal ◽  
Coordination Polymers ◽  
Crystal Engineering ◽  
Coordination Compounds ◽  
Acetate Solution ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
1D Coordination Polymer

Reaction of a methanolic copper(II) acetate solution with tetrazolyl enol derivatives 2a or 2b leads to the formation of the corresponding lD-coordination polymer 1∞[CuL2] 3a and pseudo 1D-coordination polymer [CuL2]2 3b, respectively. On the contrary, reaction of 2c with methanolic copper(II) acetate solution yields OH-bridged 1D-coordination polymer 1∞[CuL2(MeOH)2 3c. Single-crystal X-ray diffraction of the supramolecular species 3 established unequivocally the structures of the stairlike coordination compounds. Reaction of a methanolic copper(II) acetate solution with amidotetrazole derivative 6 leads to the formation of the lD-coordination polymer 1∞ [CuL2] 7. The structure of 7 has been established by X-ray structure analysis

Transition metal coordination complexes of chrysazin

CrystEngComm ◽  
2016 ◽  
Vol 18 (27) ◽  
pp. 5121-5129 ◽  
Author(s):  
Patrick J. Beldon ◽  
Sebastian Henke ◽  
Bartomeu Monserrat ◽  
Satoshi Tominaka ◽  
Norbert Stock ◽  
...  
Keyword(s):  
Transition Metal ◽  
Transition Metals ◽  
Single Crystal ◽  
Coordination Compounds ◽  
Coordination Complexes ◽  
Metal Coordination ◽  
X Ray Diffraction ◽  
X Ray

Eleven novel coordination compounds, composed of chrysazin (1,8-dihydroxyanthraquinone) and different first-row transition metals (Fe, Co, Ni, Cu), were synthesised and the structures determined by single-crystal X-ray diffraction.

scholarly journals New platinum(II) complexes with benzothiazole ligands

2016 ◽  
Vol 72 (3) ◽  
pp. 412-416 ◽  
Author(s):  
José A. Carmona-Negrón ◽  
Mayra E. Cádiz ◽  
Curtis E. Moore ◽  
Arnold L. Rheingold ◽  
Enrique Meléndez
Keyword(s):  
Single Crystal ◽  
Metal Atom ◽  
Cancer Chemotherapy ◽  
Potential Application ◽  
Dihedral Angles ◽  
Coordination Geometry ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths ◽  
Square Planar

Four new platinum(II) complexes, namely tetraethylammonium tribromido(2-methyl-1,3-benzothiazole-κN)platinate(II), [NEt4][PtBr3(C8H7NS)] (1), tetraethylammonium tribromido(6-methoxy-2-methyl-1,3-benzothiazole-κN)platinate(II), [NEt4][PtBr3(C9H9NOS)] (2), tetraethylammonium tribromido(2,5,6-trimethyl-1,3-benzothiazole-κN)platinate(II), [NEt4][PtBr3(C10H11NS)] (3), and tetraethylammonium tribromido(2-methyl-5-nitro-1,3-benzothiazole-κN)platinate(II), [NEt4][PtBr3(C8H6N2O2S)] (4), have been synthesized and structurally characterized by single-crystal X-ray diffraction techniques. These species are precursors of compounds with potential application in cancer chemotherapy. All four platinum(II) complexes adopt the expected square-planar coordination geometry, and the benzothiazole ligand is engaged in bonding to the metal atom through the imine N atom (Pt—N). The Pt—N bond lengths are normal: 2.035 (5), 2.025 (4), 2.027 (5) and 2.041 (4) Å for complexes1,2,3and4, respectively. The benzothiazole ligands are positioned out of the square plane, with dihedral angles ranging from 76.4 (4) to 88.1 (4)°. The NEt4cation in3is disordered with 0.57/0.43 occupancies.

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.

Lewis-Base Adducts of Group 11 Metal(I) Compounds .XLV. Conformational Systematics of [(N-base)1(AgX)1]N Complexes

1989 ◽  
Vol 42 (1) ◽  
pp. 149 ◽  
Author(s):  
LM Engelhardt ◽  
S Gotsis ◽  
PC Healy ◽  
JD Kildea ◽  
BW Skelton ◽  
...  
Keyword(s):  
Solid State ◽  
Single Crystal ◽  
Metal Atom ◽  
Lewis Base ◽  
The Novel ◽  
X Ray Diffraction ◽  
Nitrogen Base ◽  
X Ray ◽  
Structural Types ◽  
Solid State Structures

A number of 1 : 1 silver(1) halide/nitrogen base adducts, [ LAgX ], have been synthesized by recrystallization of the parent silver(I) halide from the neat base, and their solid state structures determined by single-crystal X-ray diffraction and rationalized in terms of the hierarchy of structural types described in the preceding papers based on steric profile of the base. In consequence of increased metal atom size (cf. Cu), a more limited array of structural types is observed.[(pyridine) AgBr,I ] ∞, [(2,4,6-trimethylpyridine) AgCI,Br,I ] ∞ and [( quinaldine ) AgCI,Br ] are 'stair' polymers; [( piperidine ) AgBr,I ]4 and [(2,2,6,6-tetramethyIpiperidine) AgI ]4 are 'cube' tetramers, while [( diethylamine ) AgCI,Br,I ] provide the first complete metal halide series of the novel 'tube' polymer.

Synthesis, structures, and properties of Mn(II) and Cd(II) thiocyanato coordination compounds with 2,5-dimethylpyrazine as co-ligand

2016 ◽  
Vol 71 (5) ◽  
pp. 381-390 ◽  
Author(s):  
Stefan Suckert ◽  
Susanne Wöhlert ◽  
Christian Näther
Keyword(s):  
Liquid Phase ◽  
Single Crystal ◽  
Powder Diffraction ◽  
Coordination Compounds ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structures And Properties ◽  
Distorted Octahedra ◽  
Pure Phases

AbstractReaction of manganese (II) thiocyanate with 2,5-dimethylpyrazine leads to the formation of three new coordination compounds of compositions Mn(NCS)2(2,5-dimethylpyrazine)2(H2O)2 (1), Mn(NCS)2(H2O)2(MeOH)2-tris(2,5-dimethylpyrazine) solvate (2), and Mn(NCS)2 (H2O)4-tetrakis(2,5-dimethylpyrazine) solvate (3) that were characterized by single crystal X-ray diffraction. In their crystal structures, the Mn(II) cations are sixfold coordinated by two terminally N-bonded thiocyanato anions and two water molecules as well as by two 2,5-dimethylpyrazine ligands (1), two ethanol (2), or two water molecules (3), within slightly distorted octahedra. In compounds 2 and 3, additional 2,5-dimethylpyrazine ligands are located in the cavities of the structures as solvate molecules. X-ray powder diffraction has shown that compounds 1 and 2 cannot be prepared as pure phases and that batches of compound 3 contain only minor traces of a contamination. Differential thermoanalysis and thermogravimetry have revealed that upon heating of compound 3, an intermediate of composition Mn(NCS)2(2,5-dimethylpyrazine) (4) is formed, which cannot be obtained from solution. To mimic the structure of 4, single crystals of a Cd compound of the same composition (5) were prepared from the liquid phase, and single crystal X-ray analysis has shown that it is isotypic to 4.

Crystal structure of Bis(tri-2-pyridylamine)iron(II) diperchlorate

1978 ◽  
Vol 31 (1) ◽  
pp. 53 ◽  
Author(s):  
ES Kucharski ◽  
WR McWhinnie ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Metal Atom ◽  
Title Compound ◽  
Complex Cation ◽  
X Ray Diffraction ◽  
Tridentate Ligands ◽  
X Ray ◽  
The One

The crystal structure of the title compound, [Fe((C5H4N)3N)2] (ClO4)2, has been determined by single-crystal X-ray diffraction at 295 K and refined by least squares to a residual of 0.059 (1995 'observed' reflections). Crystals are monoclinic, P21/a, a 12.815(4), b 17.503(7), c 8.318(3) Ǻ, β 121.38(3)°, Z 2. The complex cation lies with the metal atom on a centre of symmetry, the metal being six-coordinate, so that only one of the tridentate ligands is crystallographically independent. The geometry about the metal atom deviates only trivially from octahedral, <N-Fe-N> within the one ligand being 88.1°. <Fe-N> is 1.982 Ǻ.

Crystal structure of Tris(2-methyl-1,10-phenanthroline)iron(II) tetraphenylborate

1983 ◽  
Vol 36 (6) ◽  
pp. 1115 ◽  
Author(s):  
HA Goodwin ◽  
ES Kucharski ◽  
AH White
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
Diffraction Study ◽  
High Spin ◽  
Metal Atom ◽  
Title Compound ◽  
Point Symmetry ◽  
X Ray Diffraction ◽  
X Ray

The crystal structure of the title compound [Fe(mphen)3] (BPh4)2 a high-spin derivative of iron(II), has been determined by a single crystal X-ray diffraction study at 295 K, being refined to a residual of 0.055 for 4079 'observed' reflections. Crystals are monoclinic P 21/c, a 12.326(8), b 15.387(8), c 3679(3) �, β 98.80(6)�, Z 4. The metal atom environment is considerably distorted from ideal D3 point symmetry; Fe-N distances range from 2.143(5) to 2.294(4)�.

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