Structural studies on polyaza[n]paracyclophanes. A molecular mechanics and crystallographic study

Supramolecular Chemistry

Volumn 8, Issue 4, 1997, Pages 287-299

  Altava, Belen ^a   Bianchi, Antonio ^b   Bazzicalupi, Carla ^b   Burguete, M Isabel ^a   García España, Enrique ^c   Luis, Santiago V ^a   Miravet, Juan F ^a  

^a UNIVERSITAT JAUME I   (Spain)

^b UNIVERSITY OF FLORENCE   (Italy)

^c UNIVERSITY OF VALENCIA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 3342908535     PISSN: 10610278     EISSN: None     Source Type: Journal    
DOI: 10.1080/10610279708034948     Document Type: Article

References (42)

1. a) Cram, D.J. (1986). Angew. Chem. Int. Ed. Engl., 25, 1039.
2. b) Cram, D.J., Cram, J.M. (1994). Container Molecules and their Guests, Royal Society of Chemistry, London.
3. García-España, E., Luis, S. V. (1996). Supram. Chem., 6, 257.
4. a) Andrés, A., Burguete, M.I., García-España, E., Luis, S.V., Miravet, J.F., Soriano, C. (1993). J. Chem. Soc., Perkin Trans. 2, 749.
5. b) Bencini, A., Burguete, M. I., García-España, E., Luis, S.V., Miravet, J.F., Soriano, C. (1993). J. Org. Chem., 58, 4749.
6. a) Bianchi, A., Escuder, B., García-España, E., Luis, S.V., Marcelino, V., Miravet, J.F., Ramírez, J.A. (1994). J. Chem. Soc., Perkin Trans. 2, 1253.
7. b) Andrés, A., Bazzicaluppi, C., Bianchi, A., García-España, E., Luis, S.V., Miravet, J. F., Ramírez, J.A. (1994). J. Chem. Soc., Dalton Trans., 2995.
8. c) Doménech, A., Folgado, J.V., García-España, E., Luis, S.V., Llinares, J.M., Miravet, J.F., Ramírez, J.A. (1995). J. Chem. Soc. Dalton Trans., 545.
9. a) Burkert, U., Allinger, N.L. (1982). Molecular Mechanics, ACS monograph 177, American Chemical Society, Washington, D.C.
10. b) Jorgensen, W.L. (1989). Acc. Chem. Res. 22, 184.
11. c) Kollman, P.A., Merz, K.M., Jr. (1990). Acc. Chem. Res., 23, 246.
12. a) Wipff, G. (1990). Modelling of Molecular Structures and Properties, Rivail, J.-L. ed., Elsevier, Amsterdam 1990, p. 143.
13. b) Hancock, R.D. (1990). Acc. Chem. Res., 23, 253.
14. c) Drew, M.G.B. (1992). Spectroscopic and Computational Studies of Supramolecular Systems, Davies, J.E.D., ed., Kluwer, Amsterdam, p. 207.
15. d) Hay, B. P. (1993). Coord. Chem. Rev., 126, 177.
16. a) Groenen, L.C., Brunink, J.A.J., Bakker, W.I.I., Harkema, S., Wijmenga, S.S., Reinhoudt, D.N. (1992). J. Chem. Soc., Perkin Trans. 2, 1899.
17. b) Hay, B.P., Rustad, J.R., Hostetler, C. J. (1993). J. Am. Chem. Soc., 115, 11158.
18. c) Duffy, E.M., Jorgensen, W.L. (1994). J. Am. Chem. Soc., 116, 6337.
19. d) Troxler, L., Wipff, G. (1994). J. Am. Chem. Soc., 116, 1468.
20. a) Boudon, S., Wipff, G. (1991). J. Chim. Phys., 88, 2443.
21. b) Drew, M.G.B., Santos, M.A. (1993). Struct. Chem., 4, 5.
22. a) Chang, G., Guida, W.C., Still, W.C. (1989). J. Am. Chem. Soc., 111, 4379.
23. b) Saunders, M., Houk, K.N., Wu, Y.-D., Still, W.C., Lipton, M., Chang, G., Guida, W.C. (1990). J. Am. Chem. Soc., 112, 1419.
24. Mohamadi, F., Richards, N.G.J., Guida, W.C., Liskamp, R., Caufield, C., Chang, G., Hendrickson, T., Still, W.C. (1990). J. Comput. Chem., 11, 440.
25. a) Allinger, N.L. (1977). J. Am. Chem. Soc., 99, 8127.
26. b) Profeta, S., Allinger, N.L. (1985). J. Am. Chem. Soc., 107, 1907.
27. Still, W.C., Tempczyk, A., Hawley, R.C., Hendrickson, T. (1990). J. Am. Chem. Soc., 112, 6127.
28. a) Johnson, C.E., Bovey, F.A. (1958). J. Chem. Phys., 29, 1012.
29. b) Schneider, H.-J., Rüdiger, V., Cuber, U. (1995). J. Org. Chem., 60, 996, and references therein.
30. ORTEP: Report ORNL-3791, Oak Ridge National Laboratory; Oak Ridge, TN, 1971.
31. Nardelli, M. (1983). Comput. Chem., 7, 95-98.
32. Allinger, N.L., Yuh, Y.H., Lu, J.-H. (1989). J. Am. Chem. Soc., 111, 8551.
33. Weiner, S.J., Kollman, P.A., Case, D., Singh, V.C., Alagona, G., Profeta, S., Winer, P. (1984). J. Am. Chem. Soc., 106, 765.
34. Jorgensen, W.L., Tirado-Rives, J. (1988). J. Am. Chem. Soc., 110, 1657.
35. a) Kabsch, W. (1976). Acta Cryst., A32, 922.
36. b) Kabsch, W. (1978). Acta Cryst., A34, 827.
37. a) Bernardo, M.A., Parola, A.J., Pina, F., García-España, E., Marcelino, V., Luis, S.V., Miravet, J.F. (1995). J. Chem. Soc., Dalton Trans., 993.
38. b) Aguilar, J. A., García-España, E., Guerrero, J.A., Luis, S.V., Llinares, J.M., Miravet, J.F., Ramirez, J.A., Soriano, C. (1995). J. Chem. Soc., Chem. Commun., 2237.
39. a) SIR92: Altomare, A., Burla, M.C., Camalli, M., Cascarano, G., Giacovazzo, C., Guagliardi, A., Polidori, G. (1994). J. Appl. Cryst., 27, 435.
40. b) DIFABS: Walker, N., Stuart, D. D. (1983). Acta Cryst., Sect. A, 39, 158.
41. c) SHELX93: Sheldrick, G.M. (1993). Program for crystal structure refinement, Universität Göttingen
42. d) International Tables for X-ray Crystalography, Kynoch: Birmingham, 1974, Vol. IV.