A New Binuclear Lutetium(III) Dimethyl-N-trichloroacetylamidophosphate Complex with a γ, γ'-Dipyridyl Bridge, {Lu[CCl3C(O)NP(O)(OCH3)2]3}2-μ(γ,γ'-dipy)

2001 ◽  
Vol 56 (3) ◽  
pp. 249-254 ◽  
Author(s):  
Victor A. Trush ◽  
Jolanta Swiatek-Kozlowska ◽  
Victor V. Skopenko ◽  
Vladimir M. Amyrkhanov
Keyword(s):  
Crystal And Molecular Structure ◽  
Carbonyl Oxygen ◽  
Carbonyl Groups ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Metal Centers ◽  
X Ray ◽  
Heterocyclic Ligand ◽  
New Type ◽  
Ir Spectroscopic

Abstract A new type of binuclear coordination compound of lutetium, {Lu2L6 · μ-(γ,γ '-dipy)} (where L = dimethyl-N-trichloroacetylamidophosphate anion and γ,γ '-dipy = 4,4'-dipyridyl), has been obtained. The IR spectroscopic data reveal that the ambidentate phosphoryl ligand is coordinated to the metal center in a bidentate manner via the phosphoryl and carbonyl oxygen atoms. The crystal and molecular structure of {Ln2L6-μ-(γ ,γ '-dipy)} has been determined by means of X-ray diffraction (triclinic, space group P i with parameters: a = 9.259(2), b = 12.530(3), c = 16.548(3) Å, α = 85.44(3)°, β = 75.64(3)°, γ = 70.56(3)°, Z = 1). The structure is made up of centrosymmetric binuclear molecules, in which the neutral heterocyclic ligand is coordinated to the metal centers in a bidentate bridging manner via its nitrogen atoms. The coordination number of each Lu(III) atom is 7 [60(L-) + N((γ ,γ '-dipy)]. Phosphoryl and carbonyl groups of the L- ligands are disposed in syn-position and are included in the six-membered chelate metallocycles. The coordination polyhedron of lutetium can be described as distorted mono-capped octahedron.

Synthesis, IR and X-Ray Studies of a Dioxouranium(VI) Nitrate Complex with N,N′-Tetraethyl-N″ -trichloracetylphosphortriamide

1997 ◽  
Vol 52 (10) ◽  
pp. 1194-1198 ◽  
Author(s):  
Vladimir M. Amirkhanov ◽  
Joachim Sieler ◽  
Victor A. Trush ◽  
Vladimir A. Ovchynnikov ◽  
Konstantin V. Domasevitch
Keyword(s):  
Crystal And Molecular Structure ◽  
Carbonyl Groups ◽  
Nitrate Complex ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Phosphoryl Oxygen ◽  
Neutral Ligands ◽  
Ambidentate Ligand ◽  
Ir Spectroscopic

A new dioxouranium(VI) nitrate complex with N,N′-tetraethyl-N″-trichloracetylphosphortriamide (HL = CCl3C(O)N(H)P(O)(NEt2)2) of composition UO2 (HL)2(NO3)2 (1) has been synthesised. The IR spectroscopic data reveal that the ambidentate ligand is coordinated to the metal center in a monodentate manner via the phosphoryl oxygen atom. The crystal and molecular structure of 1 has been determined from X-ray diffraction data (triclinic, space group P1̄ with a = 9.225(2), b = 10.360(2), c = 12.249(2) Å, α = 100.02 (1), β = 103.81(1), γ = 108.80 (1)°, Z = 1; R = 0.037 for 4092 unique reflections. The structure is made up of centrosymmetric molecules in which the neutral ligands HL are monocoordinated. Phosphoryl and carbonyl groups of the HL moieties are in the trans positions to each other. The axial vertices of the distorted hexagonal bipyramid of uranium are occupied by two oxo ligands [U-O 1.753(5) Å] while six oxygen atoms of phosphoryl and nitrate groups lie in the equatorial plane [U-O 2.347(5)-2.547(6)Å],

Synthesis, Infrared and X-Ray Studies of Diphenyltellurium(IV) Nitrosocarbamylcyanmethanides. X-Ray Evidence for Stability of a Tritelluroxane Fragment -Ph2Te-O-Ph2Te-O-Ph2Te-

1996 ◽  
Vol 51 (6) ◽  
pp. 832-837 ◽  
Author(s):  
Konstantin V. Domasevitch ◽  
Victor V. Skopenko ◽  
Eduard B. Rusanov
Keyword(s):  
Molecular Structure ◽  
Oxygen Atom ◽  
Spectroscopic Data ◽  
Crystal And Molecular Structure ◽  
X Ray Diffraction ◽  
Nitroso Group ◽  
Triclinic Space Group ◽  
X Ray ◽  
Ir Spectroscopic ◽  
Derivatives Of

Abstract Diphenyltellurium(IV) derivatives of the types Ph2Te{ACO}2 (1), Ph4Te2O{ACO}2 (2) and Ph6Te3O2{ACO} (3) (ACO = nitrosocarbamylcyanmethanide -ONC(CN)C(O)NH2) have been prepared. The IR spectroscopic data reveal that the ambidentate ligands are coordinated to the tellurium(IV) atom in a monodentate manner via the nitroso oxygen atom. The crystal and molecular structure of 3 has been determined from X-ray diffraction data (triclinic, space group P1̅ with a = 12.382(2), 6=13.100(2), c = 14.944(3) Å, a = 87.74( 1), β = 85.04(2), 7 = 66.29( 1)°, V = 2211.0 A , Z = 2, R = 0.040). The structure is made up of unsymmetric molecules, in which the tellurium atoms are linked by oxo bridges to form chains Te-O-Te-O-Te (d(Te-O) ca. 1.94-2.09 A). The Te-0 (nitroso group) bond lengths are in the range 2.33 - 2.36 Å

Structural and IR-spectroscopic characterization of magnesium acesulfamate

2016 ◽  
Vol 71 (1) ◽  
pp. 51-55 ◽  
Author(s):  
Oscar E. Piro ◽  
Gustavo A. Echeverría ◽  
Beatriz S. Parajón-Costa ◽  
Enrique J. Baran
Keyword(s):  
Crystal Structure ◽  
Aqueous Solution ◽  
Elemental Analysis ◽  
Spectroscopic Characterization ◽  
Magnesium Carbonate ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Ir Spectroscopic

AbstractMagnesium acesulfamate, Mg(C4H4NO4S)2·6H2O, was prepared by the reaction of acesulfamic acid and magnesium carbonate in aqueous solution, and characterized by elemental analysis. Its crystal structure was determined by single crystal X-ray diffraction methods. The substance crystallizes in the triclinic space group P1̅ with one molecule per unit cell. The FTIR spectrum of the compound was also recorded and is briefly discussed. Some comparisons with other simple acesulfamate and saccharinate salts are also made.

The crystal structure of a dithiophosphate-bridged binuclear cobalt(II) complex of a macrocyclic ligand

1981 ◽  
Vol 34 (1) ◽  
pp. 65 ◽  
Author(s):  
GA Williams ◽  
R Robson
Keyword(s):  
Crystal And Molecular Structure ◽  
Macrocyclic Ligand ◽  
Cobalt Atom ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Axial Ligands ◽  
Octahedral Environment ◽  
Metal Atoms ◽  
A Cell

The crystal and molecular structure of LCO2 [S2P(OEt)2]2 (where L is a binucleating ligand derived from the macrocycle LH2 formed by condensation of two molecules each of propane-1,3-diamine and 2-hydroxy-5-methylisophthalaldehyde) has been determined by single-crystal X-ray diffraction techniques at 295 K. The compound crystallizes in the triclinic space group Pī with two molecules in a cell of dimensions a 18.644(6), b 11.694(4), c 9.487(4) �, α 84.99(3), β 82.61(3), γ 73.48(2)�. Automatic diffractometry has provided significant Bragg intensities for 2799 independent reflections and the structure has been refined by least-squares methods to R 0.054. The structure is molecular, consisting of discrete binuclear units LCo2[S2P(OEt)2]2. The two centrosymmetric molecules in the unit cell are crystallographically unique but essentially chemically similar. The two cobalt(11) atoms in each molecule are separated by 3.075(2) and 3.072(2) �. Each cobalt atom is in an octahedral environment, with an N2O2 equatorial plane and two sulfur atoms of bridging dithiophosphate ligands in the axial positions. The Co-S bonds are the longest yet observed [2,680(3), 2.652(3), 2.642(3), 2.623(3) �]. The cobalt(11) centres are high spin, with �eff 4.53 BM per cobalt atom. The macrocyclic ligand deviates slightly from planarity. The forces exerted both by the ligand L on associated metal atoms, and by axial ligands on the macrocycle, are discussed.

Crystal and Molecular Structure of Di-μ-phenoxido-bis-[N-{(2-hydroxybenzyl)-(S)-alaninato-κ3-O,O',N}copper(II)]. A Simple Homodimetallic Model for N-terminal Tyrosine Coordination with (S)-Alanine as a Second Amino Acid Residue

1998 ◽  
Vol 63 (3) ◽  
pp. 356-362 ◽  
Author(s):  
Svetlana Pakhomova ◽  
Jan Ondráček ◽  
František Jursík
Keyword(s):  
Molecular Structure ◽  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Carbonyl Oxygen ◽  
Antiferromagnetic Coupling ◽  
X Ray Diffraction ◽  
Apical Position ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

Single-crystal X-ray diffraction study established the dimeric [Cu2(ohb-(S)-Ala)2] structure (ohb-(S)-Ala = N-(2-hydroxybenzyl-(S)-alaninate). The complex crystallizes in the tetragonal space group P43212 with a = b = 8.849(1) Å, c = 24.913(2) Å, V = 1950.8(3) Å3, Z = 8. The Cu(II) ion has distorted square-pyramidal geometry with the equatorial positions occupied by three oxygen and one nitrogen atom. Each copper atom is weakly coordinated at the apical position by carbonyl oxygen atom of the neighbouring molecule at the distance 2.329(2) Å. The Cu-Cu separation 3.0204(7) Å and the Cu-O3-Cu angle 100.8(1)° lead to antiferromagnetic coupling (at room temperature μeff = 1.35 μB). The O1-Cu-O3 angle (154.9(1)°) indicates distortion of the square pyramid toward a trigonal bipyramid (t = 0.23).

Crystal and molecular structure of 4α-t-Butylcyclohexane-1β,2β-diol

1972 ◽  
Vol 25 (10) ◽  
pp. 2117 ◽  
Author(s):  
MD Brice ◽  
BR Penfold ◽  
WT Robinson
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Chair Conformation ◽  
Intensity Data ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Full Matrix ◽  
X Ray ◽  
R Factor ◽  
Least Squares Techniques

The crystal and molecular structure of 4α-t-butylcyclohexane-1β,2,β-diol, C10H20O2, has been determined by X-ray diffraction methods. The compound crystallizes in the triclinic space group Pi with 4 molecules in a unit cell of dimensions a = 12.268, b = 15.921, c = 6.322�, α = 82.53, β = 114.45, γ = 111.13�. The intensity data were measured by counter methods using Cu Kα radiation; the structure was solved by means of the tangent formula, and was refined using full matrix least-squares techniques to a final R-factor of 0.063 for 1199 reflections. The crystal structure consists of two sets of crystallographically non-equivalent molecules hydrogen-bonded to form discrete chains parallel to the c axis. The cyclohexane rings are in the chair conformation.

scholarly journals Crystal and Molecular Structure of Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl) acetamido)copper(II) Complex

2011 ◽  
Vol 8 (s1) ◽  
pp. S455-S461 ◽  
Author(s):  
Hakan Arslan ◽  
Ulrich Flörke ◽  
Demet Sezgin Mansuroglu
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Planar Geometry ◽  
Carbonyl Groups ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
Electronic Delocalization ◽  
Square Planar ◽  
Ft Ir ◽  
Ft Ir Spectroscopy

Bis(2,2-diphenyl-N-(di-n-propylcarbamothioyl) acetamido)copper(II) complex has been synthesized and characterized by elemental analysis and FT-IR spectroscopy. The crystal and molecular structure of the title compound has been determined from single crystal X-ray diffraction data. It crystallizes in the triclinic space group P-1, witha= 13.046(2) Å,b= 13.135(2) Å,c= 13.179(2) Å, α= 67.083(4)°, β= 67.968(4)°,γ= 84.756(4)° andDcalc=1.330 g/cm3for Z = 2. The crystal structure confirms that the complex is a mononuclear copper(II) complex and the 2,2-diphenyl-N-(di-n-propyl-carbamothioyl)acetamide ligand is a bidentate chelating ligand, coordinating to the copper atom through the thiocarbonyl and carbonyl groups. This coordination has a slightly distorted square-planar geometry (O1-Cu1-O2: 86.48(11)°, O1-Cu1-S1: 93.85(9)°, O2-Cu1-S2: 94.20(9)° and S1-Cu1-S2: 91.21(4)°). The title molecule shows acis-arrangement and C–O, C–S and C–N bond lengths of the complex suggest considerable electronic delocalization in the chelate rings.

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�.

The preparation and the crystal and molecular structure of S3N2NH2+BF4−; a molecular orbital study of the protonation of the trisulphur trinitride anion

1984 ◽  
Vol 62 (9) ◽  
pp. 1822-1827 ◽  
Author(s):  
Clifford G. Marcellus ◽  
Richard T. Oakley ◽  
A. Wallace Cordes ◽  
William T. Pennington
Keyword(s):  
Molecular Structure ◽  
Molecular Orbital ◽  
Crystal And Molecular Structure ◽  
Direct Methods ◽  
Membered Ring ◽  
Molecular Orbital Calculations ◽  
X Ray Diffraction ◽  
Triclinic Space Group ◽  
X Ray ◽  
Molecular Orbital Study

Protonation of the trisulphur trinitride ion, S3N3−, with tetrafluoroboric acid yields the ring-contracted S-amino thiodithiazyl salt, S3N2NH2+BF4−. The crystal and molecular structure of this salt has been determined by X-ray diffraction. The crystals are triclinic, space group P1, with a = 5.445(2), b = 7.346(3), c = 9.473(5) Å, α = 85.89(4), β = 83.92(3), γ = 82.13(3)°, V = 372.6(4) Å3, Dc = 2.02 g cm−3, and Z = 2. The structure was solved by direct methods and refined by full-matrix least-squares procedures to give a final R = 0.060. The structure of the five-membered ring with a single exocyclic NH2 group bonded to sulphur is discussed in relation to other S3N2NR derivatives. The reasons for the instability of six-membered rings of the type S3N3R are discussed in the light of MNDO molecular orbital calculations on an S3N3H model.

scholarly journals RESULTS OF X-RAY PHASE AND IR-SPEC ASE AND IR-SPECTRAL AN TRAL ANALYSIS OF AZOSUPERPHOSPH OSUPERPHOSPHATES OBTAINED ON THE BASIS OF AINED ON THE BASIS OF PHOSPHORITES OF CENTRAL KIZILKUM

2021 ◽  
Vol 2021 (3) ◽  
pp. 19-26
Author(s):  
Elyor Atashev ◽  
◽  
Maksud Jumaniyazov ◽  
Sayfitdin Tadjiev ◽  
Keyword(s):  
Ammonium Sulfate ◽  
Research Work ◽  
Dihydrogen Phosphate ◽  
Low Grade ◽  
X Ray Diffraction ◽  
Bending Vibrations ◽  
X Ray ◽  
New Type ◽  
Stretching Vibrations ◽  
Ir Spectroscopic

This article is devoted to the use of ammonium sulfate in the production of nitrogen-phosphorus fertilizers, which are widely used in agriculture today. In the research work, the possibilities of obtaining azo superphosphate are described in detail by the use of intensive technology based on low-grade phospharites of the Central KyzylKum. X-ray and IRspectroscopic analyzes of a new type of NP-complex fertilizers obtained using a solution of ammonium sulfate in sulfuric acid are described in detail. The X-ray analysis of the obtained sample on the X-ray diffraction pattern of the azo-superphosphate fertilizer revealed the appearance of peaks in the interplanar spacing line (NH4)2SO4 of ammonium sulfate and NH4Н2РO4 of ammonium dihydrogen phosphate. It has been substantiated that in addition to the main nutrient components dicalcium phosphate and monocalcium phosphates, the sample also contains (NH4)2SO4 and NH4Н2РO4. The results of IR spectroscopic analyzes show that the process of decomposition of the CO3 2-ion in the composition of phosphorites, peaks with high intensity formed by stretching vibrations, in the regions of 873.75 and 1417.68 cm-1, were not detected in the IR spectra of the obtained sample and this proves that that the complete decomposition process is complete. Also, the formation of stretching vibrations of the H2PO4-ion - 1215.15 cm-1, the PO4 3-ion - 532.35 cm-1 and bending vibrations of the H2PO4 -ion - 1033.85 cm-1 in the IR spectrum of the sample in this NH4Н2РO4 sample and the formation of stretching vibrations of SO4 2-ion 1436.97 cm-1 confirmed the presence of (NH4)2SO4.

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