Darstellung, Eigenschaften und Struktur des Cyclopentadienyl(1.3-diborolenyl)nickel-Sandwiehs [1] / Synthesis, Properties and Structure of the Cyclopentadienyl(1,3-diborolenyl)nickel Sandwich [1]

1978 ◽  
Vol 33 (12) ◽  
pp. 1410-1416 ◽  
Author(s):  
Walter Siebert ◽  
Manfred Bochmann ◽  
Joseph Edwin ◽  
Carl Krüger ◽  
Yi-Hung Tsay
Keyword(s):  
Structure Analysis ◽  
Title Compound ◽  
Sandwich Structure ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Nmr Data ◽  
Synthesis Properties

Abstract 1,3,4,5-Tetraethyl-2-methyl-1,3-diborolene (5) reacts with nickelocene and dimeric cyclopentadienylcarbonylnickel, yielding orange red 4 a, a diamagnetic nickelocene analogue. 1H and 11B NMR data indicate a sandwich structure, which is confirmed by X-ray structure analysis. The title compound crystallizes in the space group Pnma with a = 9.265(I), b = 15.1343(9), c = 12.777(2) Å and four molecules in the unit cell. All metal carbon distances are similar to those of the isoelectronic ferrocene.

Diborylverbindungen als Liganden in Metallkomplexen, III Synthese und Struktur von Bis(2.5-dimethyl-3.4-diäthyl-1.2.5-thiadiborolen)-nickel(0) / Diboryl Compounds as Ligands in Metal Complexes, III Synthesis and Structure of Bis(2,5-dimethyl-3,4-diethyl-1,2,5-thiadiborolene)-nickel(0)

1976 ◽  
Vol 31 (2) ◽  
pp. 203-207 ◽  
Author(s):  
Walter Siebert ◽  
Roland Full ◽  
Carl Krueger ◽  
Yi-Hung Tsay
Keyword(s):  
Structural Analysis ◽  
Metal Complexes ◽  
Title Compound ◽  
Spectroscopic Data ◽  
Nickel Complex ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Sandwich Compound ◽  
Electron Donating Groups

2,5-Dimethyl-3,4-diethyl-1,2,5-thiadiborolene (1) and Ni(CO)4 yield yellow 1 • Ni(CO)2, which is converted to the corresponding bis( 1,2,5-thiadiborolene)-nickel(0), the first thermostable thioborane nickel complex. Spectroscopic data indicate a pentahapto sandwich compound with the electron-donating groups in approximately tetrahedral arrangement. This is confirmed by X-ray structural analysis. The title compound crystallizes in the space group p21/c with α = 19.594(2), b = 11.8593(4), c = 9.3736(3) Å, β = 102.848(6)° and four molecules per unit cell.

X-ray powder diffraction data for 2,4-dichloro-5-nitrobenzoic acid

1998 ◽  
Vol 13 (1) ◽  
pp. 20-21 ◽  
Author(s):  
A. Paneque Quevedo ◽  
H. Novoa de Armas ◽  
L. Xuárez Marill
Keyword(s):  
Powder Diffraction ◽  
Diffraction Data ◽  
Title Compound ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Unit Cell Parameters ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters ◽  
Nitrobenzoic Acid

2,4-dichloro-5-nitrobenzoic acid (C7H3NO4Cl2) has been investigated by means of X-ray powder diffraction. The title compound is monoclinic with unit-cell parameters a=13.761 (2), b=8.435 (1), c=7.684 (1) Å, β=99.85 (1)°, V=878.5 (1) Å3, Z=4, Dx=1.772 g/cm3, space group P21/a (14).

Preparation and Crystal Structure Determination of [(C2Η5)4N]2Hg3Cl8

1995 ◽  
Vol 50 (1) ◽  
pp. 66-70 ◽  
Author(s):  
Inge Pabst ◽  
Peter Sondergeld ◽  
Mirjam Czjzek ◽  
Hartmut Fuess
Keyword(s):  
Crystal Structure ◽  
Single Crystals ◽  
Structure Analysis ◽  
Structure Determination ◽  
Title Compound ◽  
Monoclinic Space Group ◽  
Space Group ◽  
Coordination Type ◽  
X Ray

The title compound has been prepared in two different ways: First, by boiling single crystals of [(C2H5)4N]HgCl3 in a mixture of n-hexane/n-octane [4:1] at T = 350 K, and second, in a synthesis from stoichiometric quantities of the components. X-ray structure analysis gave the stoichiometry [(C2H5)4N]2Hg3Cl8, monoclinic, space group P21, a = 7.538(3), b = 19.909(6), c = 10.274(3) Å, β = 95.13(1)°, V = 1535.7(9) A3, Z = 2. The basic [Hg3Cl8]2--units form broken zig-zag chains along [100]. The Hg–Cl distances within the [Hg3Cl8]2- clusters range from 2.315(3) to 2.755(4) Å. This is a new coordination type for halomercurates.

Synthesis and X-ray Crystal Studies of 6-(2-chlorophenyl)-3-methyl[1,2,4] triazolo[4,5-b][1,3,4]thiadiazole

2005 ◽  
Vol 2005 (4) ◽  
pp. 238-239 ◽  
Author(s):  
Shivananju Nanjunda-Swamy ◽  
Basappa ◽  
Gangadharaiah Sarala ◽  
Basappa Prabhuswamy ◽  
Sridhar M. Anandalwar ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonding ◽  
Structure Analysis ◽  
Title Compound ◽  
Molecular Hydrogen ◽  
Crystal Structure Analysis ◽  
Spectroscopic Techniques ◽  
Space Group ◽  
X Ray ◽  
Cell Parameters

The compound 6-(2-chlorophenyl)-3-methyl[1,2,4]triazolo[4,5-b][1,3,4]thiadiazole, was synthesised using different reagents and conditions, characterised by spectroscopic techniques and finally confirmed by X-ray crystal structure analysis. The title compound crystallises in monoclinic class under the space group P21/c with cell parameters, a=10.6710 (6)Å, b=7.3660 (4)Å, c=14.3900 (8)Å, β=110.403 (3)°, Z=2 and R1= 0.0396 for 2715 reflections [I>2ΣI]. The structure exhibits inter-molecular hydrogen bonding.

Iminoacetylacetonat-Komplexe der Lanthanoide: Synthese, Eigenschaften und Struktur / Iminoacetylacetonate Complexes of Lanthanides: Synthesis, Properties and Structure

1993 ◽  
Vol 48 (12) ◽  
pp. 1753-1759 ◽  
Author(s):  
Karl-Heinz Thiele ◽  
Annett Scholz ◽  
Joachim Scholz ◽  
Uwe Böhme ◽  
Rhett Kempe ◽  
...  
Keyword(s):  
Mass Spectrometry ◽  
Organic Solvents ◽  
Structure Analysis ◽  
Chelate Complexes ◽  
Space Group ◽  
X Ray ◽  
Synthesis Properties ◽  
Lanthanum Complex

The reactions of (η5-C5Me5)2Ln(μ-Cl)2ML2 (Ln = Y, La, Lu; M = Li, K; L = Et2O, dme) 3a-c with the sodium iminoacetylacetonates 2a-b yield monomeric metallocene chelate complexes , (Ln = Y, La, Lu; R = C6H5, C6H4-4-Me) 4a-d which have been characterized by IR, NMR and mass spectrometry. In the case of the lanthanum complex 4c, the chelating structure was confirmed by an X-ray structure analysis. 4c crystallizes monoclinically in space group P21/c with a = 10.232(3), b = 10.216(1), c = 29.047(7)Å, α = γ = 90.0°, β = 97.76(3)°, Ζ = 4, and R = Rw = 0.0378 for 4026 observed reflections. The new complexes are sensitive to oxygen and moisture and soluble in all common organic solvents.

X-ray structures of triphenylphosphine and 1,2,5-triphenylphosphole products with dimethyl acetylenedicarboxylate tetramer

1994 ◽  
Vol 72 (12) ◽  
pp. 2428-2442 ◽  
Author(s):  
Martin B. Hocking ◽  
Frances W. van der Voort Maarschalk
Keyword(s):  
Triphenylphosphine Oxide ◽  
Previous Method ◽  
Unit Cell ◽  
Monoclinic Space Group ◽  
Dimethyl Acetylenedicarboxylate ◽  
Polymeric Product ◽  
Triclinic Space Group ◽  
Space Group ◽  
X Ray ◽  
Nmr Data

A tetramer of dimethyl acetylenedicarboxylate, tetramethyl 4-methoxy-5-[1,2,3-tris(methoxycarbonyl)-2-cyclopropen-1-yl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,3,6-tetracarboxylate 3, was recovered from old stocks of the monomer, and was also prepared thermally from the monomer by a variation of a previous method. NMR data and an X-ray crystal structure were determined for a red 1:1 adduct of this ester with triphenylphosphine. This red adduct, tetramethyl 4-methoxy-5-[1,2,3-tris(carbomethoxy)-3-triphenylphosphoranylidenepropen-1-yl]-7-oxabicyclo[2.2.1]hepta-2,5-diene-1,2,3,6-tetracarboxylate 5, crystallized in the triclinic space group P1 (No. 2) with two molecules in the unit cell (a = 12.315(2) Å, b = 12.321(2) Å, c = 14.652(2) Å, α = 110.60(1)°, β = 90.62 (1)°, and γ = 103.22(1)°). Refinement converged at R = 0.0694 (Rw = 0.0986) for 542 parameters using 4714 reflections with I > 2σ(I). Triphenylphosphine oxide did not react with tetramer 3. Reaction of the tetramer of dimethyl acetylenedicarboxylate 3 with 1,2,5-triphenylphosphole gave an orange product with concomitant loss of a furan triester. NMR data confirmed that this was not a simple adduct, and examination of a crystal by X-ray established the structure as the dichloromethane complex of tetramethyl 1,9,10-triphenyl-1-phospha(V)tricyclo[5,2,1,05,10] deca-1,3,5,8-tetraene-2,3,4,6-tetracarboxylate 10. This orange product crystallized in the monoclinic space group P21/c (No. 14) with four molecules in the unit cell (a = 10.056(2) Å, b = 14.280(1) Å, c = 23.892(3) Å, α = 90.0°, β = 94.15(1)°, and γ = 90.0°). Refinement converged at R = 0.0683 (Rw = 0.0710) for 540 parameters using 3180 independent reflections with I > 3σ(I). The tetramer 3 did not react with 1,2,5-triphenylphosphole-1-oxide quickly, but after 9 months gave a white, probably polymeric, product.

X-ray powder diffraction data for 5-chloro-N-(4-(5,6-dihydro-3-(4-morpholinyl)-2-oxo-1(2H)-pyridinyl)phenyl)-pentanamide, C20H26ClN3O3

2016 ◽  
Vol 31 (2) ◽  
pp. 159-161 ◽  
Author(s):  
Qing Wang ◽  
Dan Guo ◽  
Bin Tang ◽  
Hui Li
Keyword(s):  
Cell Volume ◽  
Powder Diffraction ◽  
Diffraction Data ◽  
Title Compound ◽  
Unit Cell Volume ◽  
Unit Cell ◽  
Powder Diffraction Data ◽  
Space Group ◽  
X Ray ◽  
Fxa Inhibitor

Apixaban (Eliquis®) is a novel oral pyrazole-based direct FXa inhibitor. The title compound is an intermediate in the synthesis of the anticoagulant, Apixaban. X-ray powder diffraction data for the title compound, are reported [a = 9.511(5) Å, b = 18.539(2) Å, c = 5.645(3) Å, α = 90°, β = 101.813(1)°, γ = 90°, unit-cell volume V = 974.28 Å3, Z = 2, ρcal = 1.336 g cm−3, and space group P2]. All measured lines were indexed and are consistent with the P2 space group. No detectable impurities were observed.

Notizen: Zur Reaktion von [(η3-C4H7)PdCl]2 mit Se(SiMe3)2 Die Kristallstruktur von [(η3-C4H7)6Pd6Se3] / Reaction of [(η3-C4H7)PdCl]2 with Se(SiMe3)2 The Crystal Structure of [(η3-C4H7)6Pd6Se3]

1988 ◽  
Vol 43 (5) ◽  
pp. 634-636 ◽  
Author(s):  
Dieter Fenske ◽  
Achim Hollnagel ◽  
Kurt Merzweiler
Keyword(s):  
Crystal Structure ◽  
Structure Analysis ◽  
Crystal Structure Analysis ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Lattice Constants ◽  
Trigonal Prismatic

[(η3-C4H7)PdCl]2 reacts with Se(SiMe3)2 to form [(η3-C4H7)6Pd6Se3] (1). 1 has been characterized by X-ray crystal structure analysis. It contains a distorted trigonal prismatic Pd6-cluster. Three faces of the Pd-prism are occupied by μ4-Se ligands. 1 crystallizes in the space group Pnma with 4 formula units per unit cell. The lattice constants at 200 K are: a = 1175.1(8), b = 1611.4(12), c = 1720.3(12) pm.

Zur Reaktion von (η5-C5H5)Fe(CO)2Br mit Se(SiMe3)2 Die Kristallstruktur von [Se{Fe(CO)2(C5H5)}3]2[Fe4Se4Br4]

1987 ◽  
Vol 42 (7) ◽  
pp. 928-930 ◽  
Author(s):  
Dieter Fenske ◽  
Paul Maué ◽  
Kurt Merzweiler
Keyword(s):  
Structural Analysis ◽  
Title Compound ◽  
Unit Cell ◽  
Space Group ◽  
X Ray ◽  
Crystal Structural

Abstract (η5-C5H5)Fe(CO)2Br reacts with Se(SiMe3)2 to form the title compound 1, which has been characterized by X-ray crystal structural analysis. 1 crystallizes in the space group P212121 with 4 formula units per unit cell. 1 consists of [Se{Fe(CO)2(C5H 5)}3]+- cations and [Fe4Se4Br4]2--anions, the latter with a heterocubane structure.

scholarly journals Semicobaltate -Alkalimetall-Träger in Kohlenwasserstoffen Darstellung, Eigenschaften und Struktur von K[Co(C2H4)(PMe3)3]2 / Semicobaltates -Alkali Metal Carriers in Hydrocarbons Synthesis, Properties, and Structure of K[Co(C2H4)(PMe3)3]2

1980 ◽  
Vol 35 (5) ◽  
pp. 614-619 ◽  
Author(s):  
Hans-Friedrich Klein ◽  
Joachim Groß ◽  
Jean-Marie Bassett ◽  
Ulrich Schubert
Keyword(s):  
Crystal Structure ◽  
Alkali Metal ◽  
Structure Determination ◽  
Title Compound ◽  
Unit Cell ◽  
X Ray ◽  
Hydrocarbon Solvents ◽  
Synthesis Properties ◽  
Hydrocarbons Synthesis

Abstract Semicobaltates (Co-1/2) containing olefin and trimethylphosphane ligands are synthe-sized from Co(olefin)(PMe3)3 and potassium metal. The X-ray crystal structure determination of the title compound shows that the unit cell contains two K atoms in equal ionic contact with the ethylene ligands of four Co(C2H4)(PMe3)3 complex units, two of which are interacting with both K atoms. In solution the semicobaltates exist in hydrocarbon solvents under argon only, while in contrast under ethylene or nitrogen atmospheres or in donor solvents disproportionation occurs to give Co(O) and Co(-I) species. Allgemeines

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