Synthesis, crystal structure and magnetic properties of diaquabis(2,6-diamino-7H-purin-1-ium-κN 9)bis(4,4′-oxydibenzoato-κO)cobalt(II) dihydrate

2018 ◽  
Vol 74 (1) ◽  
pp. 37-44 ◽  
Author(s):  
Ana María Atria ◽  
José Parada ◽  
Yanko Moreno ◽  
Sebastián Suárez ◽  
Ricardo Baggio ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Variable Temperature ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Orbital Contribution ◽  
Triclinic Space Group ◽  
Crystal Field Strength ◽  
Monodentate Coordination ◽  
Expected Position

The title mononuclear CoII complex, [Co(C5H7N6)2(C14H8O5)2(H2O)2]·2H2O, has been synthesized and its crystal structure determined by X-ray diffraction. The complex crystallizes in the triclinic space group P\overline{1}, with one formula unit per cell (Z = 1 and Z′ = 1 \over 2). It consists of a mononuclear unit with the CoII ion on an inversion centre coordinated by two 2,6-diamino-7H-purin-1-ium cations, two 4,4′-oxydibenzoate anions (in a nonbridging κO-monodentate coordination mode, which is less common for the anion in its CoII complexes) and two water molecules, defining an octahedral environment around the metal atom. There is a rich assortment of nonbonding interactions, among which a strong N+—H...O− bridge, with a short N...O distance of 2.5272 (18) Å, stands out, with the H atom ostensibly displaced away from its expected position at the donor side, towards the acceptor. The complex molecules assemble into a three-dimensional hydrogen-bonded network. A variable-temperature magnetic study between 2 and 300 K reveals an orbital contribution to the magnetic moment and a weak antiferromagnetic interaction between CoII centres as the temperature decreases. The model leads to the following values: A (crystal field strength) = 1.81, λ (spin-orbit coupling) = −59.9 cm−1, g (Landé factor) = 2.58 and zJ (exchange coupling) = −0.5 cm−1.

scholarly journals Crystal structure of bis{1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl-κN]-1H-pyrazol-5-olato-κO}zinc methanol 2.5-solvate from synchrotron X-ray diffraction

2017 ◽  
Vol 73 (8) ◽  
pp. 1208-1212
Author(s):  
Anatoliy S. Burlov ◽  
Valery G. Vlasenko ◽  
Pavel V. Dorovatovskii ◽  
Yan V. Zubavichus ◽  
Victor N. Khrustalev
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Triclinic Space Group ◽  
Dimensional Network ◽  
Coordination Spheres ◽  
Solvent Molecules ◽  
Zinc Cations

The title compound, [Zn(C20H15N4O)2]·2.5CH3OH, I, was synthesized via the reaction of zinc acetate with the respective ligand and isolated as a methanol solvate, i.e., as I·2.5CH3OH. The crystal structure is triclinic (space group P-1), with two complex molecules ( A and B ) and five methanol solvent molecules in the asymmetric unit. One of the five methanol solvent molecules is disordered over two sets of sites, with an occupancy ratio of 0.75:0.25. Molecules A and B are conformers and distinguished by the conformations of the bidentate 1-phenyl-3-methyl-4-[(quinolin-3-yl)iminomethyl]-1H-pyrazol-5-olate ligands. In both molecules, the zinc cations have distorted tetrahedral coordination spheres, binding the monoanionic ligands through the pyrazololate O and imine N atoms. The two ligands adopt slightly different conformations in terms of the orientation of the terminal phenyl and quinoline substituents with respect to the central pyrazololate moiety. The molecular geometries of A and B are supported by intramolecular C—H...O and C—H...N hydrogen bonds. In the crystal of I, molecules form dimers both by secondary intermolecular Zn...O [3.140 (2)–3.553 (3) Å] and π–π stacking interactions. The dimers are linked by intermolecular hydrogen bonds through the solvent methanol molecules into a three-dimensional network.

Synthesis, Crystal Structure and Magnetic Properties of a (μ-Hydroxo)(μ-Pyrazolato) Dicopper(II) Complex

2000 ◽  
Vol 55 (9) ◽  
pp. 796-802 ◽  
Author(s):  
H. Kara ◽  
Y. Elerman ◽  
K. Prout
Keyword(s):  
Crystal Structure ◽  
Magnetic Properties ◽  
Variable Temperature ◽  
Powdered Sample ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Present Complex ◽  
Square Planar ◽  
Super Exchange Interaction

Preparation and magnetic properties of a 3,5-dimethylpyrazolate bridged binuclear copper(II) complex [Cu2(L)(3 ,5 -pyz)] (L = 1,3-Bis(2-Hydroxy-5-Chlorosalicylideneamino)propan- 2-ol) is reported. The crystal structure determined by X-ray diffraction methods. (C22H20N4O3CI2CU2), triclinic, space group P1̄, a = 9.622(3), b = 10.921(2), c = 11.420(3) Å, α = 100.73(2), β = 94.04(2), Υ = 108.08(2)°, V = 1110.2(5) Å3, Z = 2. Two copper(II) ions in a square-planar coordination are bridged via alkoxide oxygen and 3,5-dimethyl pyrozolate nitrogen atoms to form a dinuclear unit. The metal coordination sphere is four-coordinate, planar with an N2O2 donor set. The dihedral angle between the two coordination planes is 166.83°. There are significant intermolecular interactions between neighbouring binuclear entities. The shortest intermolecular Cu (1) ... Cu(1)i distance is 3.383(1) Å and the Cu(1) - O ( 1)i distance is 2.666(3) Å (i = 1 -x, -y, 1 - z). The variable-temperature magnetic susceptibility measurement for a powdered sample of the complex was carried out in the temperature range 5 - 350 K and analysed to obtain values of the parameter J in the exchange Hamiltonian ℋ = -2JScu Scu; 2J = -164 cm-1. The magnetic moment at 300 K is about 2.42 μB, and 0.22 μB at 5 K. The weak antiferromagnetism of the present complex is reasonably explained in terms of the orbital countercomplementary effect based on Hoffmann's theory for super-exchange interaction

Polysulfonylamine, CXLVII [1]. Die ersten N,N-disulfonylierten Thioharnstoffe: Synthese von (RSO2)2N-C(S)-NMe2 (R = Me, 4-Me-C6H4) und Kristallstruktur der Ditosylverbindung / Polysulfonylamines, CXLVII [1]. The First N,N-Disulfonylated Thioureas: Synthesis of (RSO2)2N-C(S)-NMe2 (R = Me, 4-Me-C6H4) and Crystal Structure of the Ditosyl Compound

2001 ◽  
Vol 56 (11) ◽  
pp. 1188-1195 ◽  
Author(s):  
Jörg Dalluhn ◽  
Hans-Heinrich Pröhl ◽  
Oliver Moers ◽  
Armand Blaschette ◽  
Peter G. Jones
Keyword(s):  
Crystal Structure ◽  
Three Dimensional ◽  
Molecular Structures ◽  
Dimensional System ◽  
The Novel ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Mean Values ◽  
Guest Species ◽  
Weak Hydrogen Bonds

The moisture-sensitive title compounds were obtained in good yields by treating the corresponding silver salts AgN(SO2R)2 with the thiocarbamoyl chloride Me2NC(S)Cl in acetonitrile. In the NMR solution spectra of the novel thioureas, as recorded at room temperature for 13C and up to 120 °C for 1H, the Me2N group invariably gives rise to two distinct resonances, reflecting unusually high barriers to rotation about the C(S)-NMe2 bond. The crystal structure of the ditosyl compound (triclinic, space group P1̅, X-ray diffraction at -130 °C) contains two independent molecules A and B, in which the bond lengths and angles are nearly identical, whereas the conformations exhibit pronounced discrepancies. The amide N and thiocarbonyl C atoms have trigonal-planar environments, but the S -N -S planes are strikingly rotated into approximately perpendicular orientations relative to the planar C2N-C(S)-N moieties. Other remarkable features of the molecular structures are the exceedingly long C(S)-NS2 bonds [mean: 145.4(3) pm] and the concomitantly short C -S and C(S)-NC2 bonds [mean values: 164.8(2), 132.6(3) pm]. The packing is governed by a three-dimensional system of weak hydrogen bonds and may be viewed as a self-clathrate, in which (B)2 dimers constructed from C-H···S=C interactions are inserted as guest species into parallel tunnels between (A)∞ tapes based upon short C-H···O=S contacts.

Crystal Structure and Fluorescence Properties of a New Ternary Binuclear Complex: Sm2(C3H3O2)6(phen)2

2007 ◽  
Vol 62 (10) ◽  
pp. 1267-1270 ◽  
Author(s):  
Xian-Wen Wang ◽  
Fu-Ping Chen ◽  
Liang Chen ◽  
Jing-Zhong Chen
Keyword(s):  
Crystal Structure ◽  
Room Temperature ◽  
Stacking Interactions ◽  
X Ray Diffraction ◽  
Complex Molecules ◽  
Triclinic Space Group ◽  
One Dimensional ◽  
X Ray ◽  
Cell Parameters ◽  
Supramolecular Chains

A new ternary mixed ligand dinuclear samarium(III) complex, Sm2(C3H3O2)6(phen)2 (1) (C3H3O2 = acrylate; phen = 1,10-phenathroline), has been synthesized and characterized by microanalysis, IR and UV/vis spectra and single crystal X-ray diffraction. Compound 1 crystallizes in the triclinic space group P1̅ with cell parameters: a = 9.6687(19), b = 10.690(2), c = 10.799(2) Å , α = 105.50(3), β = 106.67(3), γ = 91.59(3)°, V = 1023.8(3) Å3. The Sm(III) cations are bridged by four acrylate anions into a dinuclear molecular unit. The nine-coordinate Sm(III) atoms adopt a significantly distorted monocapped anti-square-prismatic geometry. Within the crystal structure, the complex molecules are associated via π-π stacking interactions into one-dimensional supramolecular chains along the [011] direction. Compound 1 exhibits intense fluorescence in the solid state at room temperature.

Crystal and molecular structure of Octacarbonylbis(diphenylarsino)-methanedimanganese(0)

1983 ◽  
Vol 36 (4) ◽  
pp. 683 ◽  
Author(s):  
BF Hoskins ◽  
RJ Steen
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Parent Compound ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Fourier Methods ◽  
X Ray

The crystal structure of the complex Mn2(CO)8(dam) (dam = Ph2AsCH2AsPh2) has been determined by three-dimensional X-ray diffraction methods. The crystals are triclinic, space group P1, with a 11.191(1), b 16.498(5), c 9.455(1) �, a 93.64(2), β 109.08(2), γ 89.36(2)� and contain two discrete, binuclear molecules of Mn2(CO)8(dam) per unit cell. The structure, solved by direct and Fourier methods, was refined by a least-squares procedure to R and Rw of 0.065 and 0.082 respectively for 1907 independent, statistically significant reflections collected by counter methods. The feature of particular interest in this compound is the accommodation of the bridging bidentate dam ligand [As.. .As separation 3.242(2) �] across a shorter Mn�-Mn� bond [2.962(3) �] which constrains the molecule so that a much less staggered configuration of the two manganese coordination octahedra is observed relative to the parent compound Mn2(CO)10, the rotation of the two equatorial planes in the former being 30�.

Crystal structure and spectra of the mixed-ligands complex 1-(2-thenoyl)-2-(2,2′-dipyridyl methylene)hydrazino-acetato lead (II)

1994 ◽  
Vol 209 (12) ◽  
Author(s):  
P. C. Christidis ◽  
I. A. Tossidis ◽  
C. A. Hondroudis
Keyword(s):  
Crystal Structure ◽  
Diffraction Data ◽  
Title Compound ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Mixed Ligands

AbstractThe crystal structure of the title compound has been determined from three-dimensional X-ray diffraction data. The crystals are triclinic, space group

A Three-dimensional Manganese(II) 1,2,4-Benzenetricarboxylate Hydroxide Framework with Mn–O Inorganic Sheets: Hydrothermal Synthesis and Crystal Structure

2008 ◽  
Vol 63 (11) ◽  
pp. 1339-1342 ◽  
Author(s):  
Shuxi Zhou ◽  
Yanxiong Ke ◽  
Hongliang Zou ◽  
Tianhua Liu ◽  
Fang Zhu ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrothermal Reaction ◽  
Three Dimensional ◽  
Transition Metal Ions ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Cell Parameters ◽  
3D Framework

Abstract Utilizing unsymmetrical 1,2,4-benzenetricarboxylate (1,2,4-BTC) as a ligand, a complex [Mn2.5(1,2,4-BTC)- (OH)2(H2O)] was synthesized by hydrothermal reaction and characterized by single crystal X-ray diffraction. The coordination polymer crystallizes in the triclinic space group P1̅, with cell parameters a = 5.7702(5), b = 8.0269(6), c = 12.1378(9) Å, α = 88.000(1)°, β = 81.493(1)◦, γ = 88.569(1)°, and Z = 2. In the the crystal, there are Mn- O-Mn sheets which are further connected through the 1,2,4-BTC ligands into a 3D framework, which is rare in the coordination chemistry originating from transition metal ions and unsymmetrical polycarboxylates.

scholarly journals Tetraaquabis(pyridine-3-carbonitrile-κN 1)nickel(II) benzene-1,4-dicarboxylate tetrahydrate

2021 ◽  
Vol 77 (1) ◽  
pp. 14-17
Author(s):  
Monsumi Gogoi ◽  
Birinchi Kumar Das
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Free Water ◽  
Water Molecules ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Coordination Environment ◽  
X Ray ◽  
Graph Set

A nickel(II) terephthalate complex, viz. [Ni(C6H4N2)2(H2O)4](O2CC6H4CO2)·4H2O, has been synthesized and studied by single-crystal X-ray diffraction. It crystallizes in the triclinic space group P\overline{1}. The crystal structure shows an approximately octahedral coordination environment of the complex with the [Ni(H2O)4(3-NCpy)2]2+ (3-NCpy is pyridine-3-carbonitrile) cation associated with four free water molecules and hydrogen bonded to a terephthalate dianion [graph set R 2 2(8)]. The supramolecular structure of the compound is stabilized by a three-dimensional array of O—H...O and O—H...N hydrogen bonds, along with π–π stacked pyridine-3-carbonitrile rings and C—H...O interactions.

scholarly journals An investigation of polyhedral deformation in two mixed-metal diarsenates: SrZnAs2O7and BaCuAs2O7

2015 ◽  
Vol 71 (4) ◽  
pp. 330-337 ◽  
Author(s):  
Sabina Kovač ◽  
Ljiljana Karanović ◽  
Tamara Đorđević
Keyword(s):  
Crystal Structure ◽  
Single Crystal ◽  
General Formula ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Hydrothermal Conditions ◽  
X Ray ◽  
Open Framework ◽  
Geometrical Characteristics ◽  
Barium Copper

Two isostructural diarsenates, SrZnAs2O7(strontium zinc diarsenate), (I), and BaCuAs2O7[barium copper(II) diarsenate], (II), have been synthesized under hydrothermal conditions and characterized by single-crystal X-ray diffraction. The three-dimensional open-framework crystal structure consists of corner-sharingM2O5(M2 = Zn or Cu) square pyramids and diarsenate (As2O7) groups. Each As2O7group shares its five corners with five differentM2O5square pyramids. The resulting framework delimits two types of tunnels aligned parallel to the [010] and [100] directions where the large divalent nine-coordinatedM1 (M1 = Sr or Ba) cations are located. The geometrical characteristics of theM1O9,M2O5and As2O7groups of known isostructural diarsenates, adopting the general formulaM1IIM2IIAs2O7(M1II= Sr, Ba, Pb;M2II= Mg, Co, Cu, Zn) and crystallizing in the space groupP21/n, are presented and discussed.

Two-dimensional lanthanide(III) coordination polymers: solvothermal synthesis, crystal structure, and stability

2020 ◽  
Vol 0 (0) ◽  
Author(s):  
Runmei Ding ◽  
Zixin He ◽  
Meilin Wang ◽  
Danian Tian ◽  
Peipei Cen
Keyword(s):  
Crystal Structure ◽  
Coordination Polymers ◽  
Solvothermal Synthesis ◽  
Analysis Data ◽  
Water Stability ◽  
Two Dimensional ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Solvothermal Conditions

AbstractBased on 2-(4-pyridyl)-terephthalate (H2pta) and oxalate ligands, two new lanthanide-containing coordination polymers (CPs), [Tb(pta)(C2O4)0.5(H2O)2)]·2H2O (1) and [Sm(pta)(C2O4)0.5(H2O)2)]·2H2O (2), have been synthesized under solvothermal conditions. The structures of both 1 and 2 have been determined by single-crystal X-ray diffraction. Infrared, elemental analysis, powder X-ray diffraction and thermogravimetric analysis data are also presented. The crystals of 1 and 2 exhibit isostructural layer-like networks, crystallizing in the triclinic space group P$‾{1}$. The layers are further stabilized and associated into 3D architectures through hydrogen bonding. Remarkably, the CPs 1 and 2 exhibit excellent water stability and remarkable thermostability with thermal decomposition temperatures of more than 420 °C.

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