ChemInform Abstract: 1,2- vs 1,4-Regioselectivity of Lithiated Phenylacetonitrile Toward α,β-Unsaturated Carbonyl Compounds. Part 1. Monomer-Dimer Equilibrium of Lithiated Phenylacetonitrile Ion Pairs in Solution and Structure Determination of the Species

ChemInform ◽  
2010 ◽  
Vol 29 (33) ◽  
pp. no-no
Author(s):  
T. STRZALKO ◽  
J. SEYDEN-PENNE ◽  
L. WARTSKI ◽  
J. CORSET ◽  
M. CASTELLA-VENTURA ◽  
...  
Keyword(s):  
Structure Determination ◽  
Carbonyl Compounds ◽  
Ion Pairs

Complexes of the methyl tris(3,5-dimethylpyrazol-1-yl) gallate ligand, MeGa(N2C5H7)3−, and its hydroxy derivative, MeGa(N2C5H7)2(OH)−. Crystal and molecular structure of [MeGa(N2C5H7)2(OH)]Mo(CO)2(η3-C4H7)

1979 ◽  
Vol 57 (2) ◽  
pp. 139-146 ◽  
Author(s):  
Kenneth R. Breakell ◽  
Steven J. Rettig ◽  
Alan Storr ◽  
James Trotter
Keyword(s):  
Molecular Structure ◽  
Crystal Structure ◽  
Least Squares ◽  
Structure Determination ◽  
Carbonyl Compounds ◽  
Crystal And Molecular Structure ◽  
Hydroxy Derivative ◽  
Full Matrix ◽  
Sterically Demanding

The synthesis and coordinating properties of the tridentate tris-chelating ligand, methyl tris(3,5-dimethylpyrazol-1-yl)gallate, MeGa(N2C5H7)3−, are described. Carbonyl and nitrosyl carbonyl compounds of manganese, molybdenum, and tungsten incorporating this ligand are detailed. The ready conversion of the above ligand to the less sterically demanding tris-chelating 'hydroxy' ligand [MeGa(N2C5H7)2(OH)]− occurs in attempted syntheses of the 'η3-allyl' complexes, [MeGa(N2C5H7)3]M(CO)2'η3-allyl', (where M = Mo or W, 'η3-allyl' = η3-C3H5, η3-C4H7). The tridentate chelating nature of this 'hydroxy' ligand is conclusively demonstrated in the crystal structure determination of the complex, [MeGa(N2C5H7)2(OH)]-Mo(CO)2(η3-C4H7). Crystals of this complex are monoclinic, a = 14.020(4), b = 10.110(1), c = 15.493(7) Å, β = 111.58(3)°, Z = 4, space group P21/n. The structure was solved by Patterson and Fourier syntheses and was refined by full-matrix least-squares procedures to a final R of 0.40 and Rw of 0.043 for 3374 reflections with I ≥ 3.5σ(I).

Preparation and crystal structure determination of triphenylmethanide cesium · 1.5 dimethoxyethane and of phenothiazine cesium diglyme

1998 ◽  
Vol 213 (3) ◽  
Author(s):  
H. Bock ◽  
T. Hauck ◽  
C. Näther
Keyword(s):  
Crystal Structure ◽  
Structure Determination ◽  
Ion Pairs ◽  
Polymer Chains ◽  
Polymeric Chains ◽  
Moisture Sensitive ◽  
Counter Cation ◽  
Solvent Molecules ◽  
Contact Ion Pairs

AbstractReaction of triphenylmethane with cesium metal in dimethoxyethane (DME) or of phenothiazine in diglyme yields two organometallic cesium compounds as extremly air and moisture sensitive single crystals. In triphenylmethanide cesium · 1.5 DME, the counter cations form two structurally different contact ion pairs to symmetry-related triphenylmethanide anions and are solvated in addition by two crystallographically independent ether solvent molecules, which partly connect the resulting polymeric chains. In phenothiazine cesium diglyme, each counter cation is surrounded by three symmetry-related phenothiazine anions and one diglyme molecule predominantly via their oxygen, nitrogen and sulfur centers and again infinite polymer chains are formed. All structural results are discussed based on literature data of analogous complexes.

Ab initio structure determination of cytochrome c6 by combined reciprocal space-real space approach

2003 ◽  
Vol 218 (1) ◽  
Author(s):  
K. Chowdhury ◽  
S. Ghosh ◽  
M. Mukherjee
Keyword(s):  
Cytochrome C ◽  
Ab Initio ◽  
Structure Determination ◽  
Direct Method ◽  
Real Space ◽  
Reciprocal Space ◽  
Cytochrome C6 ◽  
Ab Initio Structure ◽  
Space Approach

AbstractThe direct method program SAYTAN has been applied successfully to redetermine the structure of cytochrome c

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