Anion Effects on the Structural Properties of Bis(triphenylphosphine)copper(I) Carboxylate Complexes, [(PPh3)2CuO2CR]

1998 ◽  
Vol 51 (1) ◽  
pp. 67 ◽  
Author(s):  
Robert D. Hart ◽  
Peter C. Healy ◽  
Michelle L. Peake ◽  
Allan H. White
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Structural Properties ◽  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Structural Data ◽  
Nitrate Complex ◽  
Orthorhombic Space Group ◽  
X Ray ◽  
Anion Coordination

The crystal and molecular structure of the 2 : 1 triphenylphosphine copper(I) benzoate complex [(PPh3)2CuO2CC6H5] have been determined by a room-temperature single-crystal X-ray study. The complex is isomorphous with the dithiobenzoate analogue, crystallizing in the orthorhombic space group P212121 with a 20·094(5), b 16·929(9), c 10·659(8) Å, Z 4; conventional R on |F| was 0·039 for 4261 independent ‘observed’ (I > 3σ(I)) reflections. Comparison of structural data for this and other [(PPh3)2CuO2CR] complexes shows that the P–Cu–P angle and the anion coordination are dependent on both the donor strength of the anion and on steric interactions between the anion and the triphenylphosphine ligands. The structure of the analogous nitrate complex [(PPh3)2CuNO3] has also been redetermined.

Die Kristall- und Molekülstruktur von Tris(dimethylamino)boran / The Crystal and Molecular Structure of Tris(dimethylamino)borane

1982 ◽  
Vol 37 (10) ◽  
pp. 1230-1233 ◽  
Author(s):  
Günter Schmid ◽  
Roland Boese ◽  
Dieter Bläser
Keyword(s):  
Molecular Structure ◽  
Crystal Growth ◽  
Single Crystal ◽  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Melting Process ◽  
Single Crystal Growth ◽  
Zone Melting ◽  
X Ray Diffraction ◽  
X Ray

Abstract Tris(dimethylamino)borane, X-ray The crystal and molecular structure of tris(dimethylamino)borane, a liquid at room temperature, has been determined by single-crystal X-ray diffraction methods at - 116°C. The single-crystal growth was accomplished by means of a miniature zone melting process on the diffractometer. The structure data are compared with those of other aminoboranes.

Crystal Structures of Ergot Alkaloid Derivatives. Ergometrine Maleate and Methylergometrine Maleate

1996 ◽  
Vol 61 (9) ◽  
pp. 1396-1404 ◽  
Author(s):  
Jan Čejka ◽  
Michal Hušák ◽  
Bohumil Kratochvíl ◽  
Alexandr Jegorov ◽  
Ladislav Cvak
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Molecular Modelling ◽  
Ergot Alkaloid ◽  
Crystal And Molecular Structure ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
Orthorhombic Space Group ◽  
Methyl Group ◽  
X Ray

Two ergot alkaloid derivatives were examined by X-ray diffraction techniques. The crystal and molecular structure of ergometrine maleate (1) was evaluated from single-crystal data and the molecular structure of related methylergometrine maleate (2) was obtained by molecular modelling. The measured and calculated X-ray powder patterns of 1 and 2 were compared. Derivative 1 crystallizes in the orthorhombic space group P212121 with a = 5.7112(7) Å, b = 12.337(2) Å, c = 33.276(6) Å, Z = 4, V = 2 344.5(6) Å3. Derivative 2 is nearly isostructural with 1, it has slightly expanded unit cell, a = 5.724(2) Å, b = 12.762(6) Å, c = 33.25(2) Å, Z = 4, V = 2 428(1) Å3. No effect of an additional methyl group on the molecular packing of 2 was found.

Crystal Structure of (NH4)2[Mo3S(S2)6] Containing the Novel Isolated Cluster [MO3S13]2-

1979 ◽  
Vol 34 (3) ◽  
pp. 434-436 ◽  
Author(s):  
A. Müller ◽  
S. Pohl ◽  
M. Dartmann ◽  
J. P. Cohen ◽  
J. M. Bennett ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Aqueous Solutions ◽  
Single Crystal ◽  
Ammonium Salt ◽  
Crystal And Molecular Structure ◽  
Monoclinic Space Group ◽  
The Novel ◽  
Mean Values ◽  
X Ray

Abstract The novel tri-nuclear metal-sulfur cluster [Mo3S(S2)6]2- can be obtained as its ammonium salt by the reaction of a Moiv containing aqueous solutions with polysulfide. Its crystal and molecular structure has been determined by a single crystal X-ray study. The crystals are monoclinic (space group Cm, with a = 11.577(6) Å, b = 16.448(7) Å, c = 5.716(2) Å, β = 117.30(3)°, V = 967.2 Å3 , Z = 2, dexptl. = 2.54(2) g/cm3 , dcal = 2.54 g/cm3). The structure consists of isolated [Mo3S(S2)6]2- units, with three Mo atoms at the vertices of a triangle. There are bridging as well as terminal S22--ligands lying above and below the Mo3-plane (bond distances: Mo-Mo = 2.722 Å, Mo-S(terminal) = 2.435, Mo-S(bridging) = 2.452, Mo3-S = 2.353(4) Å and S-S = 2.04 Å (mean values)).

Synthesis, Crystal Structure and Antimicrobial Activity of Poly [bis-and#181;-3,5-dinitro-2-oxidobenzoato) (py) Cu II]

2020 ◽  
Vol 42 (6) ◽  
pp. 928-928
Author(s):  
Fouzia Chang Fouzia Chang ◽  
Najma Memon Najma Memon ◽  
Shahabuddin Memon Shahabuddin Memon ◽  
Muhammad Naeem Ahmed Muhammad Naeem Ahmed ◽  
Muhammad Nawaz Tahir Muhammad Nawaz Tahir ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Room Temperature ◽  
Central Metal Atom ◽  
Central Metal ◽  
Single Crystal Xrd ◽  
Monoclinic System ◽  
X Ray ◽  
Pyramidal Geometry ◽  
Square Pyramidal Geometry

A novel Poly [bis-and#181;-3,5-dinitro-2-oxidobenzoato) (py) Cu II]/(C12H7CuN3O7) was synthesized by a self assemble method at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P 2 1/c with lattice parameters of a = 10.2143, b = 5.1651 and c = 26.608, α = 90, β = 99.720, γ = 90, Z = 4, V = 1383.60 (18) and#197;3.Pore size depicted from single crystal XRD data was 47and#197;. The central metal atom Cu (II) is coordinated with oxygen of carboxylates group and nitrogen atom of pyridine. The coordination polyhedron posses square pyramidal geometry is manifested by the N— Cu—O angle of 90o. The structure is composed of monomeric coordination units with the central copper (II) ion is not occupying a centre of symmetry.

Kristall- und Molekülstruktur von 2-[3-(N,N-Diethylammonium)propylimino]-2-phenyl-dithioacetat / Crystal and Molecular Structure of 2-[3-(N,N-Diethylammonium)propylimino]-2-phenyl-dithioacetate

1995 ◽  
Vol 50 (1) ◽  
pp. 81-85 ◽  
Author(s):  
Frank W. Heinemann ◽  
Helmut Hartung ◽  
Nadja Maier
Keyword(s):  
Molecular Structure ◽  
Hydrogen Atom ◽  
Structure Determination ◽  
Crystal And Molecular Structure ◽  
Amino Nitrogen ◽  
Orthorhombic Space Group ◽  
Imino Nitrogen ◽  
X Ray ◽  
Lattice Constants

The title compound, formed by the reaction of acetophenone with 3-diethylamino-1-propylamine and sulfur, crystallizes in the orthorhombic space group P212121 (Z = 4) with lattice constants a = 818.1(2) pm, b = 1225.1(2) pm and c = 1622.4(4) pm. The characterization of the molecule as a zwitterion is established by the observed bond parameters. Both spectroscopic investigations and the results of the X-ray structure determination show that a hydrogen atom is bonded to the amino nitrogen rather than to the imino nitrogen.

scholarly journals Synthesis, characterization and single crystal X-ray analysis of azobenzene-4, 4′-dicarbonyl chloride

2018 ◽  
Vol 6 (2) ◽  
pp. 132-136
Author(s):  
Pramod Kumar Yadav
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Elemental Analysis ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Molecular Aggregation ◽  
X Ray Diffraction ◽  
Secondary Interaction ◽  
Triclinic Crystal System ◽  
X Ray

The title compound azobenzene-4, 4′-dicarbonyl chloride has been synthesized in distilled dichlomethane and characterized by elemental analysis (C, H, N), IR and NMR (1H & 13C) studies. The crystal and molecular structure was further confirmed using single crystal X-ray diffraction analysis. It was crystallized in triclinic crystal system with space group P-1. The centrosymmetrically related molecules held together via C–H---O secondary interaction result in molecular aggregation of the compound.  Int. J. Appl. Sci. Biotechnol. Vol 6(2): 132-136

Studies of the rhenium-oxygen bond. III. The crystal and molecular structure of 1-oxo-6-ethoxo-2,4-dichloro-3,5-dipyridinerhenium(V)

1977 ◽  
Vol 55 (2) ◽  
pp. 333-339 ◽  
Author(s):  
Colin James Lyne Lock ◽  
Graham Turner
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Dominant Factor ◽  
X Ray Diffraction ◽  
Rhenium Atom ◽  
Full Matrix ◽  
X Ray ◽  
Oxygen Bond

The crystal and molecular structure of the title compound has been examined by single crystal X-ray diffraction. The crystals are monoclinic with a = 28.045(10), b = 8.766(3), c = 12.376(5) Å, β = 91.14(3)°. The space group is C2/c and there are eight molecules per unit cell. A total of 5053 independent reflections, of which 2860 were observed, were examined on a Syntex [Formula: see text] diffractometer. The structure was refined by full matrix least squares to an R2 value of 0.0449. The ligands form a very rough octahedron around the rhenium atom with Re—Cl(1), 2.441(3); Re—Cl(2), 2.366(3), Re—O(1), 1.684(7); Re—O(2), 1.896(6); Re—N(1), 2.144(7); Re—N(2), 2.132(7) Å. The pyridine rings are a dominant factor in determining the details of the molecular structure.

Spaltung von S4N4 zu S2N2 bei Raumtemperatur: Darstellung und Struktur von S2N2 • 2AlBr3 / Cleavage of S4N4 to S2N2 at Room Tem perature: Preparation and Structure of S2N2 • 2AlBr3

1984 ◽  
Vol 39 (2) ◽  
pp. 145-148 ◽  
Author(s):  
Ulf Thewalt ◽  
Konrad Holl
Keyword(s):  
Molecular Structure ◽  
Room Temperature ◽  
Crystal And Molecular Structure ◽  
Crystal Data ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Lengths

The compound S2N2 • 2AlBr3 has been prepared by reaction of S4N4 with AlBr3 in 1,2-dibromoethane at room temperature. Its crystal and molecular structure have been determined by X-ray diffraction; R = 0.068. Crystal data: monoclinic, P 21/n, a = 9.594(5), b = 9.975(4), c = 7.528(4) Å , β = 111.36(5)°. The S2N2 ring of the centrosymmetrical complex is bonded via its nitrogen atoms to two AlBr3 units thus completing coordination tetrahedra around the Al atoms. Bond distances and angles within the S2N2 ring are d(S-N) = 1.629(13) and 1.651(13) Å, ∢ (S-N-S) = 95.8, and ∢ (N-S-N) - 84.2°. Whereas the S-N bond lengths agree closely with those of free S2N2, the angle at N is enlarged by ca. 5° and the angle at S is decreased by ca. 5°. The sulfur atoms form two close S···Br contacts of length 3.149 (intramolecular) and 3.193 (intermolecular) Å , respectively. The intermolecular attractive nonbonded S···Br interactions tie the complexes together in a way that leads to infinite chains which run parallel to the crystallographic z axis

Synthesis and Electrochemistry of Aluminum Porphycenes: Crystal and Molecular Structure of Methyl-σ-Bonded Aluminum Etioporphycene

1997 ◽  
Vol 01 (02) ◽  
pp. 109-119 ◽  
Author(s):  
ROGER GUILARD ◽  
VIRGINIE PICHON-PESME ◽  
HASSANE LACHEKAR ◽  
CLAUDE LECOMTE ◽  
ALLY M. AUKAULOO ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Structural Data ◽  
Synthesis And Characterization ◽  
X Ray Diffraction ◽  
X Ray ◽  
H Nmr ◽  
Axial Ligands ◽  
Uv Visible

The synthesis and characterization of three monomeric aluminum porphycenes with anionic or σ-bonded axial ligands is reported. The investigated compounds are represented as ( EtioPc ) Al ( CH 3) and ( EtioPc ) AlX where EtioPc represents the dianion of etioporphycene and X = Cl − or OH −. Each synthesized complex was characterized by mass spectrometry. 1 H NMR, IR and UV-visible spectroscopies as well as by electrochemistry. Comparisons are made between the properties of complexes in the aluminum etioporphycene series and related chloro- or methyl σ-bonded Al ( III ) porphyrins containing octaethylporphyrin ( OEP ) or tetraphenylporphyrin ( TPP ) macrocycles. Comparisons are also made between the currently investigated compounds and a previously reported Al ( III ) μ-oxo dimer, [( EtioPc ) Al ]2 O . In addition, the crystal and molecular structure of ( EtioPc ) Al ( CH 3) was determined by X-ray diffraction. The molecular structure of this methyl-σ-bonded aluminum etioporphycene provides the first structural data for an aluminum porphycene compound. The aluminum(III) atom in ( EtioPc ) Al ( CH 3) is pentacoordinated and is located 0.54 Å from the plane of the four N -nitrogens.

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