Crystal and molecular structure of a ruthenium complex containing a metalated perfluoroazobenzene ligand and a novel 2-(.eta.-cyclopentadienyl)phenyl group

1976 ◽  
Vol 15 (10) ◽  
pp. 2486-2490 ◽  
Author(s):  
James A. Moreland ◽  
Robert J. Doedens
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Ruthenium Complex ◽  
Phenyl Group

The crystal and molecular structure of π -cyclopentadienyl 1-phenylcyclopentadiene cobalt

1964 ◽  
Vol 279 (1377) ◽  
pp. 191-209 ◽  
Keyword(s):  
Molecular Structure ◽  
Single Crystal ◽  
Least Squares ◽  
Crystal And Molecular Structure ◽  
Crystal Packing ◽  
Three Dimensional ◽  
Phenyl Group ◽  
Spectroscopic Techniques ◽  
Bond Lengths ◽  
Carbon Carbon Bond

π -Cyclopentadienyl 1-phenylcyclopentadiene cobalt crystallizes as orthorhombic needles with a = 29.64 ± 0.04 Å, b = 7.70 ± 0.01 Å, c = 10.68 + 0.02 Å; the space group is Pbca . A three-dimensional single-crystal Fourier and least-squares analysis has converged R to 0.089 for the 815 independent reflexions, σ - and π -bonding from the cyclopentadiene ligand to the cobalt ion is evidenced by the conformation of the ligand together with the detailed carbon-carbon bond lengths (average e. s. d. 0.03 Å). The phenyl group occupies the exo -position rather than the endo -site suggested by spectroscopic techniques. The crystal packing is also discussed.

The crystal and molecular structure of 8-nitro-1,10-dithia-[2.2]metacyclophane

1975 ◽  
Vol 142 (1-2) ◽  
Author(s):  
S. Kiryu ◽  
W. Nowacki
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Nitro Group ◽  
Crystal And Molecular Structure ◽  
Phenyl Group ◽  
Direct Methods ◽  
Shape Deformation ◽  
Phenyl Rings ◽  
Block Diagonal

AbstractThe crystal structure of 8-nitro-1,10-dithia-[2.2]metacyclophane, CThe structure was solved by direct methods and refined by block-diagonal least-squares methods;The strain of the molecule and the boat shape deformation of both phenyl rings were found to be much increased by the introduction of a bulky nitro group. The best plane of the nitro group is inclined by 47° with respect to the plane of the adjacent phenyl group.

Structural studies of organoboron compounds. XVII. Preparation and crystal and molecular structure of 3a-methyl-2,4,9a-triphenyl-1,2,3a,4,9,9a-hexahydro-1,3,9-trioxa-3a-azonia-2-bora-9a-boratacyclopenta[b]naphthalene

1984 ◽  
Vol 62 (5) ◽  
pp. 845-855 ◽  
Author(s):  
W. Kliegel ◽  
D. Nanninga ◽  
Steven J. Rettig ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Least Squares ◽  
Title Compound ◽  
Crystal And Molecular Structure ◽  
Phenylboronic Acid ◽  
Phenyl Group ◽  
Direct Methods ◽  
Addition Product ◽  
Structural Studies ◽  
Full Matrix

The title compound was prepared by the reaction of 8-methyl-6,6-diphenyl-5,7-dioxa-8-azonia-6-borata-6,7-dihydro-5H-benzocycloheptene (1) with phenylboronic acid. Crystals of 3a-methyl-2,4,9a-triphenyl-1,2,3a,4,9,9a-hexahydro-1,3,9-trioxa-3a-azonia-2-bora-9a-boratacyclopenta[b]naphthalene are monoclinic, a = 11.8548(4), b = 22.7837(4), c = 8.5457(3) Å, β = 106.952(2)°, Z = 4, space group P21/n. The structure was solved by direct methods and was refined by full-matrix least-squares procedures to R = 0.040 and Rw = 0.047 for 2970 reflections with I ≥ 3σ(I). The molecule was found to be a formal addition product between 1 and PhBO which had undergone a 1,4-shift of a phenyl group from boron to carbon. The backbone of the molecule consists of a folded system of three fused rings. The structure contains the longest known B(sp3)—N(sp3) bond, 1.759(2) Å.

Crystal and molecular structure of potassium [Δ,Λ-racemic-(1-phenylethylenediamine-N,N,N',N'-tetraacetato)cobaltate(III)] sesquihydrate

1990 ◽  
Vol 55 (4) ◽  
pp. 1002-1009 ◽  
Author(s):  
Viktor Kettmann ◽  
Marián E. Kalina ◽  
Ján Lučanský ◽  
Milan Strašák
Keyword(s):  
Molecular Structure ◽  
Crystal And Molecular Structure ◽  
Phenyl Group ◽  
Van Der Waals Interactions ◽  
Orthorhombic System ◽  
X Ray ◽  
Cell Parameters ◽  
Out Of Plane ◽  
Main Factors ◽  
Energy Preference

The crystal and molecular structure of the title compound was determined by X-ray analysis. It crystallizes in the orthorhombic system, space group Ccc2, with cell parameters a = 3.773(3), b = 1.404(11), c = 0.6962(6) nm, V = 3.687 nm3, and Z = 8. The main factors determining stereochemistry of the complex are intramolecular hydrophobic stacking interaction between the methylene hydrogens of the out-of-plane R1 ring and the aromatic ring of the phenyl group, and the nonbonding van der Waals interactions between the methylene hydrogens of the central ethylenediamine (E), in-plane glycinate (G) and R rings as well as of the hydrogens of the phenyl group. The observed stereospecific coordination is due to an energy preference for the equatorially located phenyl group on the E ring.

A tetranuclear ruthenium complex with bridging pyridine-2,4-dicarboxylato ligands forming a square metallamacrocycle

2016 ◽  
Vol 71 (2) ◽  
pp. 119-123 ◽  
Author(s):  
Yu-Feng Xie ◽  
Ai-Quan Jia ◽  
Hang Zhu ◽  
Hua-Tian Shi ◽  
Qian-Feng Zhang
Keyword(s):  
Molecular Structure ◽  
Nitrogen Atom ◽  
Single Crystal ◽  
Electrochemical Properties ◽  
Crystal And Molecular Structure ◽  
Ruthenium Complex ◽  
X Ray Diffraction ◽  
Bridging Ligands ◽  
X Ray ◽  
Pyridinedicarboxylic Acid

AbstractTreatment of [RuCl2(PPh3)3] with equimolar amounts of 2,4-pyridinedicarboxylic acid (2,4-dipicH2) in the presence of Et3N afforded a tetranuclear complex [Ru(μ-2,4-dipic)(PPh3)2]4 (1) as red crystals. The crystal and molecular structure of [Ru(μ-2,4-dipic)(PPh3)2]4·CHCl3·8H2O (1·CHCl3·8H2O) was determined by single-crystal X-ray diffraction. Each ruthenium center in 1 is six-coordinated with two phosphorus atoms from triphenylphosphine ligands, one nitrogen atom from a pyridyl moiety and three oxygen atoms from two 2,4-dipic2– ligands. 2,4-Pyridinedicarboxylate dianions (2,4-dipic2–) act as bridging ligands to form the stable tetranuclear metallamacrocyclic compound. The electrochemical properties of 1 were also investigated.

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