Structural Investigations of C-Nitrosobenzenes. Part 3.1 Solid-state and Solution 13C NMR Studies, and Crystal Structure of E-(4-CIC6H4NO)2

Daniel A. Fletcher; Brian G. Gowenlock; Keith G. Orrell; David C. Apperley; Michael B. Hursthouse; K. M. Abdul Malik

doi:10.1177/174751989902300316

Structural Investigations of C-Nitrosobenzenes. Part 3.1 Solid-state and Solution 13C NMR Studies, and Crystal Structure of E-(4-CIC6H4NO)2

Journal of Chemical Research ◽

10.1177/174751989902300316 ◽

1999 ◽

Vol 23 (3) ◽

pp. 202-203

Author(s):

Daniel A. Fletcher ◽

Brian G. Gowenlock ◽

Keith G. Orrell ◽

David C. Apperley ◽

Michael B. Hursthouse ◽

...

Keyword(s):

Crystal Structure ◽

Solid State ◽

13C Nmr ◽

Nmr Studies ◽

Structural Investigations ◽

Nmr Data ◽

C Nmr

Solid-state and solution 13C NMR data for the monomers and dimers of 3- and 4-substituted nitrosobenzenes, and the crystal structure of E-(4-CIC6H4NO)2 are reported.

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

Canadian Journal of Chemistry ◽

10.1139/v00-008 ◽

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.

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Structural Investigations of C-Nitrosobenzenes. Part 3. Solid-state and Solution 13C NMR Studies, and Crystal Structure of E-(4-ClC6H4NO)2

Journal of Chemical Research Synopses ◽

10.1039/a809836k ◽

1999 ◽

pp. 202-203 ◽

Cited By ~ 6

Author(s):

Daniel A. Fletcher ◽

Brian G. Gowenlock ◽

Keith G. Orrell ◽

David C. Apperley ◽

Michael B. Hursthouse ◽

...

Keyword(s):

Crystal Structure ◽

Solid State ◽

13C Nmr ◽

Nmr Studies ◽

Structural Investigations

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

Canadian Journal of Chemistry ◽

10.1139/cjc-78-3-316 ◽

2000 ◽

Vol 78 (3) ◽

pp. 316-321

Author(s):

G.W. Buchanan ◽

A.B. Driega ◽

G.P.A. Yap

Keyword(s):

Crystal Structure ◽

Solid State ◽

Crown Ethers ◽

Nmr Studies ◽

X Ray ◽

C Nmr

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The X-ray crystal structure of a Corynanthé-type indole compound, C22H29N2O4+Br−, wherein an unprecedented triaxial conformation is preferred

Canadian Journal of Chemistry ◽

10.1139/v85-494 ◽

1985 ◽

Vol 63 (11) ◽

pp. 2979-2982

Author(s):

Angèle Chiaroni ◽

Claude Riche ◽

David S. Grierson ◽

Henri-Philippe Husson

Keyword(s):

Crystal Structure ◽

Solid State ◽

A Priori ◽

X Ray ◽

Indole Compound ◽

Nmr Data ◽

C Nmr

On the basis of 1H and 13C nmr data, a conformation was proposed for the Corynanthé type indole compound 8 in which the substituents at C-3 (indole), C-14 (ethyl), and C-15 (malonyl) were all axial. An X-ray crystal study on the HBr salt of 8 confirmed that this a priori unexpected conformation is also preferred in the solid state.

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13C-NMR-Untersuchiingen an einigen Organosilanen /13 C NMR Studies on Some Organosilanes

Zeitschrift für Naturforschung B ◽

10.1515/znb-1979-0922 ◽

1979 ◽

Vol 34 (9) ◽

pp. 1270-1274 ◽

Cited By ~ 28

Author(s):

Bernd Wrackmeyer ◽

Werner Biffar

Keyword(s):

13C Nmr ◽

Structural Features ◽

Coupling Constants ◽

Coupling Mechanism ◽

Nmr Studies ◽

Nmr Parameters ◽

Nmr Data ◽

Fermi Contact ◽

Fermi Contact Term ◽

C Nmr

Abstract13C-NMR data (δ13C, J(13C1H), J(13C13C), J(29Si13C)) of noncyclic organosilanes CH4-n[Si(CH3)3]n (n = 1-4), (CH3)4-nC[Si(CH3)3]n (n = 1, 3, 4) and cyclic organosilanes [(CH3)2SiCH2]n (n = 2, 3), (CH3)2Si(CH2)3 are reported. Comparison of reduced coupling constants 1K proves the Fermi-contact-term to be the dominant coupling mechanism. Structural features of the four-membered heterocycles become apparent by comparison of their 13C NMR parameters with those of corresponding cycloalkanes, noncyclic organosilanes and the 1,3,5-trisilacyclohexane derivative.

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Novel O-C-C-O and C-O-C-C stereochemistry in crown ether analogs. X-ray crystal structure and NMR studies of dibenzo-20-crown-6

Canadian Journal of Chemistry ◽

10.1139/v95-015 ◽

1995 ◽

Vol 73 (1) ◽

pp. 100-105 ◽

Cited By ~ 11

Author(s):

G.W. Buchanan ◽

A. Moghimi ◽

C. Bensimon

Keyword(s):

Crystal Structure ◽

Solid State ◽

Crown Ether ◽

Crown Ethers ◽

Nmr Studies ◽

Trans Conformation ◽

Torsion Angles ◽

X Ray ◽

Solid State Conformation ◽

C Nmr

The X-ray crystal structure of the title material indicates that the molecule possesses a pseudo-centre of inversion. A pair of O-C-C-O bonds have a trans conformation in contrast to normal gauche stereochemistry for such units in crown ethers. For the C-O-C-C networks, which are normally transoid in crown ethers, all four such units involving methylene carbons of the 20-membered ring exhibit unusual geometries. Two units possess gauche conformations and the other two have torsion angles near 120°. Solution 1H and 13C NMR spectra have been recorded as a function of temperature and 13C solid state spectra are included. Keywords: crown ether, solid state conformation.

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