Hydrogen bonding versus van der waals repulsion in 1,3,5-trideoxy-1,3,5-tris-(trimethylammonio)-cis-inositol triiodide sesquihydrate, C15H36N3O33+3I - .1.5H2O

Acta Crystallographica Section C: Crystal Structure Communications

Volumn 52, Issue 5, 1996, Pages 1288-1293

  Schmalle, Helmut W ^a   Hegetschweiler, Kaspar ^b  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

BAND STRUCTURE; CONFORMATIONS; CRYSTAL STRUCTURE; HYDROGEN BONDS; MOLECULAR STRUCTURE; VAN DER WAALS FORCES;

BIFURCATED INTRAMOLECULAR HYDROGEN BOND; CYCLOHEXANE RING;

AROMATIC COMPOUNDS;

EID: 0030141521     PISSN: 01082701     EISSN: None     Source Type: Journal    
DOI: 10.1107/S0108270195013497     Document Type: Article

References (31)

1. Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G. & Taylor, R. (1992). International Tables for Crystallography, edited by A. J. C. Wilson, Vol. C, pp. 685-706. Dordrecht: Kluwer Academic Publishers.
2. Angyal, S. J. (1980). Chem. Soc. Rev. 9, 415-428.
3. Busing, W. R., Martin, K. O., Levy, H. A., Brown, G. M., Johnson, C. K. & Thiessen, W. A. (1971). ORFFE3. Report ORNL-TM-306, revised. Oak Ridge National Laboratory, Tennessee, USA.
4. Cremer, D. & Pople, J. A. (1975). J. Am. Chem. Soc. 97, 1354-1358.
5. Desiraju, G. R. (1991). Acc. Chem. Res. 24, 290-296.
6. Enraf-Nonius (1989). CAD-4 Software. Version 5.0. Enraf-Nonius, Delft, The Netherlands.
7. Fair, C. K. (1990). MolEN. An Interactive Intelligent System for Crystal Structure Analysis. Enraf-Nonius, Delft, The Netherlands.
8. Ferraris, G. & Ivaldi, G. (1988). Acta Cryst. B44, 341-344.
9. Ghisletta, M., Jalett, H.-P., Gerfin, T., Gramlich, V. & Hegetschweiler, K. (1992). Helv. Chim. Acta, 75, 2233-2242.
10. Hall, S. R., Allen, F. H. & Brown, I. D. (1991). Acta Cryst. A47, 655-685.
11. Hancock, R. D. & Hegetschweiler, K. (1993). J. Chem. Soc. Dalton Trans, pp. 2137-2140.
12. Hausherr-Primo, L., Hegetschweiler, K., Rüegger, H., Odier, L., Hancock, R. D., Schmalle, H. W. & Gramlich, V. (1994). J. Chem. Soc. Dalton Trans. pp. 1689-1701.
13. Hegetschweiler, K., Erni, I., Schneider, W. & Schmalle, H. (1990). Helv. Chim. Acta, 73, 97-105.
14. Hegetschweiler, K., Ghisletta, M., Fässler, T. F., Nesper, R., Schmalle, H. W. & Rihs, G. (1993). Inorg. Chem. 32, 2032-2041.
15. Hegetschweiler, K., Hancock, R. D., Ghisletta, M., Kradolfer, T,. Gramlich, V. & Schmalle, H. W. (1993). Inorg. Chem. 32, 5273-5284.
16. Hegetschweiler, K., Kradolfer, T., Gramlich, V. & Hancock, R. D. (1995). Chem. Eur. J. 1, 74-88.
17. Hegetschweiler, K., Weber, M. & Gramlich, V. (1995). In preparation.
18. Jeffrey, G. A. & Saenger, W. (1994). In Hydrogen Bonding in Biological Structures. Berlin: Springer Verlag.
19. Johansson, L., Molund, M. & Oskarsson, A. (1978). Inorg. Chim. Acta, 31, 117-123.
20. Johnson, C. K. (1976). ORTEPH. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.
21. Joswig, W., Fuess, H. & Ferraris, G. (1982). Acta Cryst. B38, 2798-2801.
22. Keller, E. (1986). SCHAKAL86. A Fortran Program for the Graphic Representation of Molecular and Crystallographic Models. University of Freiburg, Germany.
23. Liang, C., Ewig, C. S., Stouch, T. R. & Hagler, A. T. (1994). J. Am. Chem. Soc. 116, 3904-3911.
24. Schmalle, H. W., Hegetschweiler, K. & Ghisletta, M. (1991). Acta Cryst. C47, 2047-2052.
25. Schweizer, W. B. (1985). MOLEG. Program for the Calculation of Molecular Geometries. Version 4.1. Unpublished.
26. Sheldrick, G. M. (1990). Acta Cryst. A46, 461-A73.
27. Sheldrick, G. M. (1993). SHELX93. Program for the Refinement of Crystal Structures. University of Güttingen, Germany.
28. Steiner, T. (1995). Acta Cryst. D51, 93-97.
29. Steiner, T. & Saenger, W. (1993). J. Am. Chem. Soc. 115, 4540-4547.
30. Steiner, T. & Saenger, W. (1994). Acta Cryst. B50, 348-357.
31. Taylor, R. & Kennard, O. (1982). J. Am. Chem. Soc. 104, 5063-5070.