A Novel Crown Ether Generation Containing Different Heteroaromatic Cations:  Synthesis, Characterization, Solid-Phase13C NMR, X-ray Crystal Structure, and Selective Amino Acid Recognition

2002 ◽  
Vol 67 (7) ◽  
pp. 2065-2074 ◽  
Author(s):  
Abolghasem Moghimi ◽  
Majid Faal Rastegar ◽  
Mehdi Ghandi ◽  
Masoud Taghizadeh ◽  
Abdollah Yari ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Crown Ether ◽  
X Ray ◽  
Amino Acid Recognition

Solid state stereochemistry of crown ethers: X-ray crystal structure and 13C NMR studies of the LiNCS complex of 1,4,7,11-tetraoxacyclotetradecane

2000 ◽  
Vol 78 (3) ◽  
pp. 316-321
Author(s):  
G W Buchanan ◽  
A B Driega ◽  
G PA Yap
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Crown Ether ◽  
13C Nmr ◽  
Title Complex ◽  
Nmr Studies ◽  
Nmr Spectrum ◽  
X Ray ◽  
Large Amplitude Motion ◽  
C Nmr

The title complex is asymmetric in the crystal due to the spatial orientation of the NCS function. The space group has been determined to be P21 with a = 9.496(3), b = 8.736(3), c = 9.676(3) Å, β = 117.859(5)°, and Z = 2. The solid state 13C NMR spectrum is consistent with the lack of symmetry in the crystal and there is little evidence for large amplitude motion in the macrocycle as determined from the dipolar dephased spectrum.Key words: macrocyclic crown ether, lithium complex.

Preparation and X-Ray Crystal Structure of a Unique 2:1-Complex of Mercury(II) Chlorideand 5-Oxa-2,8-dithiabicyclo[7.4.1]-tetradeca-9,11,13-trien-14-one, a Troponoid Dithio-Crown Ether

Heterocycles ◽  
1998 ◽  
Vol 47 (1) ◽  
pp. 149 ◽  
Author(s):  
Akira Mori ◽  
Kanji Kubo ◽  
Nobuo Kato ◽  
Hitoshi Takeshita ◽  
Masaaki Shiono ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Crown Ether ◽  
X Ray

Synthese und Kristallstruktur von [VCl2(15-Krone-5)]+[VOCl4]- / Synthesis and Crystal Structure of [VCl2(15-Crown-5)]+[VOCl4]-

1990 ◽  
Vol 45 (10) ◽  
pp. 1393-1397 ◽  
Author(s):  
Gerlinde Frenzen ◽  
Werner Massa ◽  
Thilo Ernst ◽  
Kurt Dehnicke
Keyword(s):  
Crystal Structure ◽  
Ir Spectroscopy ◽  
Crown Ether ◽  
Single Crystals ◽  
Structure Determination ◽  
Acetonitrile Solution ◽  
Tetragonal Symmetry ◽  
Synthesis And Crystal Structure ◽  
X Ray ◽  
Ether Molecule

[VCl2(15-crown-5)]+[VOCl4]- has been prepared by the reaction of VCl4 with 15-crown-5 in acetonitrile solution in the presence of water, forming black-brown single crystals. They were characterized by IR spectroscopy as well as by an X-ray structure determination. Space group Pnma, Z = 4, 1530 observed unique reflexions, R = 0.052. Lattice dimensions at -120°C: a = 1128.5(4), b = 1063.3(3), c = 1680(1) pm. The compound forms ions, in which the cation contains vanadium(+III), which is seven coordinate by the five oxygen atoms of the crown ether molecule and by two chlorine atoms in axial positions of a pentagonal bipyramide. The [VOCl4]- anion contains vanadium (+V) with approximately tetragonal symmetry

Synthesis, X-ray crystal structure, and solid-state 13C NMR study of tris(9-crown-3)triphenylene

2001 ◽  
Vol 79 (2) ◽  
pp. 195-200 ◽  
Author(s):  
Gerald W Buchanan ◽  
Majid F Rastegar ◽  
Glenn PA Yap
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Crown Ether ◽  
Chemical Shifts ◽  
Aromatic Rings ◽  
X Ray ◽  
Nmr Study ◽  
Group A ◽  
C Nmr ◽  
Solid State 13C Nmr

Benzo-9-crown-3 ether trimerizes in the presence of FeCl3 and aqueous H2SO4 to produce tris(9-crown-3)triphenylene in 25.4% yield. This compound crystallizes in the monoclinic P21/c space group: a = 13.759(2) Å, b = 13.318(2) Å, c = 13.399(2) Å, β = 96.883(2)°, with Z = 4. The three 9-crown-3 ether units of the trimer possess different geometries and there is substantial deviation from coplanarity in the three aromatic rings. 13C NMR chemical shifts in the solid state are consistent with this lack of symmetry and are discussed in terms of the X-ray crystal-structure data.Key words: crown ether, trimerization, stereochemistry.

Studies Directed Towards the Total Synthesis of Anticapsin. X-Ray Crystal-Structure of (1RS,2SR,4RS,5RS,6SR)-5-Hydroxy-2-phthalimido-1-trimethylsilyloxy-bicyclo[2.2.2]octane-2,6-carbolactone

1990 ◽  
Vol 43 (11) ◽  
pp. 1827 ◽  
Author(s):  
MJ Crossley ◽  
TW Hambley ◽  
AW Stamford
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Total Synthesis ◽  
Synthetic Approach ◽  
Hydrogen Atoms ◽  
Full Matrix ◽  
X Ray ◽  
X Ray Crystallography ◽  
Relative Stereochemistry ◽  
Atomic Parameters

The relative stereochemistry of methyl 2-phthalimido-1- trimethylsilyloxybicyclo[2.2.2]oct-5-ene-2-carboxylate (9) and its 5,6-epoxide (10), intermediates in a synthetic approach to the amino acid antibiotic anticapsin, were established by the TiCl4-mediated cyclization of (10) to the carbolactone (12); the structure of which was proved by single-crystal X-ray crystallography. Full-matrix least- squares refinement of all atomic parameters with individual isotropic thermal parameters for the hydrogen atoms by using 1446 reflections converged at R 0.036. Crystals of (12) are monoclinic, P21/c, a 12.342(3), b 12.239(2), c 13.405(3) Ǻ, β 99.34(2)°, Z 4.

Metallkomplexe mit biologisch wichtigen Liganden, CXV. Addition von α-Aminosäureestern an [CpFe(CO)3]+: Carbamoylkomplexe Cp(OC)2Fe-C(O)NHCHRCO2R’ und Kristallstruktur von Cp(OC)2Fe-C(O)NHCH2CO2Et / Metal Complexes of Biologically Important Ligands, CXV. Addition of α-Amino Acid Esters to [CpFe(CO)3]+: Carbamoyl Complexes Cp(OC)2Fe-C(O)NHCHRCO2R' and Crystal Structure of Cp(OC)2Fe-C(O)NHCH2CO2Et

1999 ◽  
Vol 54 (3) ◽  
pp. 385-388 ◽  
Author(s):  
Reinhold Urban ◽  
Kurt Polbom ◽  
Wolfgang Beck
Keyword(s):  
Crystal Structure ◽  
Amino Acid ◽  
Metal Complexes ◽  
Amino Acid Esters ◽  
X Ray Diffraction ◽  
Carbonyl Ligand ◽  
X Ray ◽  
Acid Esters

α-Amino acid esters can be added to a carbonyl ligand of [CpFe(CO)3]+CF3SO3- to give the carbamoyl complexes Cp(OC)2Fe-C(O)NHCHRCO2R′ (R = H, Me, CHMe2, CH2Ph; R′ = Et, Me). This type of reaction may be useful for the marking of peptides at the amino end. The crystal structure of Cp(OC)2Fe-C(O)NHCH2CO2Et was determined by X-ray diffraction.

Synthesis and x-ray crystal structure of dimethyltin(IV) dithiocyanate bihydrate adduct with a crown ether

1985 ◽  
Vol 99 (2) ◽  
pp. L21-L23 ◽  
Author(s):  
Giovanni Valle ◽  
Giuseppe Ruisi ◽  
Umberto Russo
Keyword(s):  
Crystal Structure ◽  
Crown Ether ◽  
X Ray
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