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Crystal and molecular structure of 3a,6a-dihydro-3-phenylthiolan [2,3-d]isoxazole-4-oxide, C11H11NO2S

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Abstract

The crystal and molecular structure of the title compound, C11H11NO2S, has been determined by X-ray analysis from diffractometric data. The crystals are monoclinic:P21/n, a=17.186(4),b=10.848(2),c=5.588(1) Å,β=91.96(1)°,Z=4. The structure was solved by direct methods, and refined by full-matrix least-squares toR=0.043 for 1551 observed reflections. Bond lengths and angles have normal values. The isoxazoline and the thiolane rings are in an intermediate envelope/twist conformation, with a dihedral angle of 109.7(1)° between their best planes, whereas the phenyl ring is rotated 4.1(1)° from the isoxazoline ring, thus allowing extensive conjugation within this moiety.

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References

  • Berg, J. M., and Holm, R. H. (1983)Inorg. Chem. 22, 1768.

    Google Scholar 

  • Bovio, B., and Locchi, S. (1986)J. Cryst. Spectrosc. Res. 16, 785.

    Google Scholar 

  • Cahn, R. S., Ingold, C. K., and Prelog, V. (1956)Experientia 12, 81.

    Google Scholar 

  • Cremer, D., and Pople, J. A. (1975)J. Am. Chem. Soc. 97, 1354.

    Google Scholar 

  • International Tables for X-ray Crystallography (1974) Vol. IV (Kynoch Press, Birmingham, England).

  • Johnson, C. K. (1965)Ortep. Report ORNL-3794, Oak Ridge National Laboratory, Tennessee.

    Google Scholar 

  • Kitaigorodskii, A. J. (1961)Organic Chemical Crystallography (Consultants Bureau, New York).

    Google Scholar 

  • Main, P., Fiske, S. J., Hull, S. E., Lessinger, L., Germain, G., Declerq, J. P., and Woolfson, M. M. (1980)Multan-80 (University of York, England, and Louvain-la-Neuve, Belgium).

    Google Scholar 

  • Marinone Albini, F. (1985) Private communication.

  • Philoche-Levisalles, M., and Bellec, C. (1980)J. Heterocycl. Chem. 17, 1537.

    Google Scholar 

  • Schomaker, V., and Trueblood, K. N. (1968)Acta Crystallogr. B 24, 63.

    Google Scholar 

  • Stewart, R. F., Davidson, E. R., and Simpson, W. T. (1965)J. Chem. Phys. 42, 3175.

    Google Scholar 

  • Touré, S., Lapasset, J., Xicluna, A., and Bodot, H. (1981)Acta Crystallogr. B 37, 418.

    Google Scholar 

  • Wilson, A. J. C. (1942)Nature (London) 150, 152.

    Google Scholar 

Download references

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  1. Dipartimento di Chimica Generale, Università degli Studi, Pavia, Italy

    Bruna Bovio

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  1. Bruna Bovio
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Bovio, B. Crystal and molecular structure of 3a,6a-dihydro-3-phenylthiolan [2,3-d]isoxazole-4-oxide, C11H11NO2S. Journal of Crystallographic and Spectroscopic Research 17, 1–11 (1987). https://doi.org/10.1007/BF01181955

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  • DOI: https://doi.org/10.1007/BF01181955

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