DOI: 10.1039/A801424H
(Paper)
Reference Section for: Chem. Commun., 1998, 1043-1044
Probabilities of formation of bimolecular cyclic hydrogen-bonded motifs in organic crystal structures: a systematic database analysis
(Note: The full text of this document is currently only available in the PDF Version )
Frank H. Allen, Gregory P. Shields, Robin Taylor, Frank H. Allen, Paul R. Raithby, Gregory P. Shields and Robin Taylor
Abstract
A database methodology has been developed to locate all possible occurrences of bimolecular cyclic hydrogen-bonded motifs in the Cambridge Structural Database and to calculate their probabilities of formation; the top 24 motifs involving D–H···A (D, A = N or O) are identified.
References
- C. B. Aakeröy and K. R. Seddon, Chem. Soc. Rev., 1993, 22, 397 RSC.
- G. R. Desiraju, Angew. Chem., Int. Ed. Engl., 1995, 34, 2311 CrossRef CAS.
- W. Jones, V. R. Pedireddi, A. P. Chorlton and R. Docherty, Chem. Commun., 1996, 997 RSC.
- G. A. Jeffrey and S. Takagi, Acc. Chem. Res., 1978, 11, 264 CrossRef CAS; L. Leiserowitz and A. T. Hagler, Proc. R. Soc. London, Ser. A, 1983, 338, 133.
- F. H. Allen and O. Kennard, Chem. Des. Autom. News, 1993, 8, 1; 31 Search PubMed.
- M. C. Etter, Acc. Chem. Res., 1990, 23, 120 CrossRef CAS; J. Bernstein, R. E. Davis, L. Shimoni and N.-L. Chang, Angew. Chem., Int. Ed. Engl., 1995, 34, 1555 CrossRef CAS.
- F. H. Allen, O. Kennard, D. G. Watson, L. Brammer, A. G. Orpen and R. Taylor, J. Chem. Soc., Perkin Trans. 2, 1987, S1 RSC.
- W. Saenger, Principles of Nucleic Acid Structure, Springer-Verlag, New York, 1984, ch. 6 Search PubMed; J.-M. Lehn, M. Mascal, A. DeCian and J. Fischer, J. Chem. Soc., Chem. Commun., 1990, 479 Search PubMed; G. M. Whitesides, E. E. Simanek, J. P. Mathais, C. T. Seto, D. N. Chin, M. Mammen and D. M. Gordon, Acc. Chem. Res., 1995, 28, 37 RSC.