Conformational Analysis: Scope and Present Limitations by G. Chiurdoglu

By G. Chiurdoglu

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Am. Chem. Soc. 8 9 , 7036, 7043, 7047 (1967). CONFORMATIONS A N D BARRIERS IN CYCLIC MOLECULES 5. 6. 7. 8. 9. 10. 11. 12. 13. 14. 15. 16. L. Anet and M. St. Jacques, J. Am. Chem. Soc. 88, 2586 (1966). E. S. L. Griffith, R. D. Roberts, J. Am. Chem. Soc. 91, 1386 (1969). P. Groth, Acta Chem. Scand. D. Dunitz and A. Mugnoli, Chem. Comm. D. B. V. Egmond and C. Romers, Tetrahedron 25, 2693 (1969). G. D. MacNicol, W . A. A. Zabkiewicz, Chem. Comm. 103 (1968). M. St. D. Thesis, University of California, Los Angeles, 1967.

In situations where deceptively simple H-2 patterns are found, the induced shifts by vicinal substituents have the opportunity that an identical study of H-4,6 patterns, as actually under discussion for H-2 hydrogens, can be done. A serious drawback, however, is the decreased accuracy obtained as a result of some suppositions which later on will be introduced. See below. O. ANTEUNIS This follows from the fact that Δβ = Δ—ΔΙ-Β, Δα = Δ + Α, and Ke = (l — x)lx= (intensity line ße or a e) / (intensity line ßa o r a j .

Chem. Soc. 89, 1836 (1967); Tetrahedron Letters 1967, 4755. R. Buys (Ree. Trav. Chim. ß-value" can be related to the torsional ring angle τ by the expression = 2 2 R J transitas = (3-2 cos T)/4COS τ. The value for τ found in the trans-dithianes are generally 62°, except in the methylisopropyl derivative, where it is 59°. For a recent discussion of these torsional angles in 1,3-heterocyclic derivatives on the basis of a modified Lambert criterion see J. Gelan, G. Swaelens and M. Anteunis, Bull..

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