NMR studies on single crystals of H2. III. Dynamic effects

1980 ◽  
Vol 40 (1-2) ◽  
pp. 187-205 ◽  
Author(s):  
S. Washburn ◽  
R. Schweizer ◽  
H. Meyer

1981 ◽  
Vol 45 (1-2) ◽  
pp. 167-188 ◽  
Author(s):  
S. Washburn ◽  
R. Schweizer ◽  
H. Meyer




2015 ◽  
Vol 71 (6) ◽  
pp. 491-498 ◽  
Author(s):  
Mikhail E. Minyaev ◽  
Dmitrii M. Roitershtein ◽  
Ilya E. Nifant'ev ◽  
Ivan V. Ananyev ◽  
Tatyana V. Minyaeva ◽  
...  

(1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-1,3,5-triphenylcyclohexan-1-ol or (4-hydroxy-2,4,6-triphenylcyclohexane-1,3-diyl)bis(phenylmethanone), C38H32O3, (1), is formed as a by-product in the NaOH-catalyzed synthesis of 1,3,5-triphenylpentane-1,5-dione from acetophenone and benzaldehyde. Single crystals of the chloroform hemisolvate, C38H32O3·0.5CHCl3, were grown from chloroform. The structure has triclinic (P-1) symmetry. One diastereomer [as a pair of (1RS,2SR,3RS,4SR,5RS)-enantiomers] of (1) has been found in the crystal structure and confirmed by NMR studies. The dichoromethane hemisolvate has been reported previously [Zhanget al.(2007).Acta Cryst.E63, o4652]. (1RS,2SR,3RS,4SR,5RS)-2,4-Dibenzoyl-3,5-bis(2-methoxyphenyl)-1-phenylcyclohexan-1-ol or [4-hydroxy-2,6-bis(2-methoxyphenyl)-4-phenylcyclohexane-1,3-diyl]bis(phenylmethanone), C40H36O5, (2), is also formed as a by-product, under the same conditions, from acetophenone and 2-methoxybenzaldehyde. Crystals of (2) have been grown from chloroform. The structure has orthorhombic (Pca21) symmetry. A diastereomer of (2) possesses the same configuration as (1). In both structures, the cyclohexane ring adopts a chair conformation with all bulky groups (benzoyl, phenyl and 2-methoxyphenyl) in equatorial positions. The molecules of (1) and (2) both display one intramolecular O—H...O hydrogen bond.





1979 ◽  
Vol 37 (3-4) ◽  
pp. 309-341 ◽  
Author(s):  
R. Schweizer ◽  
S. Washburn ◽  
H. Meyer ◽  
A. B. Harris
Keyword(s):  


2017 ◽  
Vol 59 (5) ◽  
pp. 855-859 ◽  
Author(s):  
A. O. Antonenko ◽  
E. V. Charnaya ◽  
D. Yu. Nefedov ◽  
D. Yu. Podorozhkin ◽  
A. V. Uskov ◽  
...  


1991 ◽  
Vol 172-174 ◽  
pp. 603-610 ◽  
Author(s):  
H.C. Hoke ◽  
H.E. Schone ◽  
C.A. Sholl ◽  
S.P. Usher ◽  
R.G. Barnes ◽  
...  


2017 ◽  
Vol 41 (5) ◽  
pp. 309-313
Author(s):  
Mohammad M. Ghanbari ◽  
Marzieh Jamali ◽  
Gyula Batta ◽  
Attila C. Bényei

The reaction of stoichiometric amounts of dialkyl acetylenedicarboxylates with triphenylphosphine in the presence of hydantoins or thiohydantoins afforded stable crystalline phosphorus ylides. These compounds undergo smooth elimination of PPh3 to produce dialkyl 2-(4,4-diaryl-2,5-dioxoimidazolidin-1-yl)fumarate, 4 or dialkyl 2-(4,4-diaryl-2-mercapto-5-oxo-4,5-dihydro-1 H-imidazol-1-yl)fumarate, 7. Single crystal X-ray diffraction study on 4b and 7b proved the structures unambiguously with C=O and SH functionality at the 2-position of the imidazole ring, respectively. Dynamic effects were observed in the NMR spectra of these compounds and were attributed to restricted rotation around the carbon-nitrogen single bonds. Rotational energy barrier (Δ G#) for their interconversion process of rotational isomers equals to (53.6 and 17.2) ± 2 kcal mol−1.



1982 ◽  
Vol 49 (1-2) ◽  
pp. 101-122 ◽  
Author(s):  
S. Washburn ◽  
M. Calkins ◽  
H. Meyer ◽  
A. B. Harris


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