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Crystal and molecular structure of 3-methoxy-10-methyl-11-phenyl-11-hydroxy-10,11-dihydrodibenzo [b,f] thiepine

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Abstract

The structure of the title compound (C22 H20O2S) is orthorhombic with space groupPca21,a=15.467(8),b=9.410(6),c=25.092(7) Å andZ=8. It has been solved by direct methods and refined by full-matrix least-squares techniques (phenyl rings as rigid bodies) to a conventionalR factor of 0.088 for 1056 reflections. There are only minor differences in the geometry of the two crystallographically nonequivalent molecules. The center ring of the molecule adopts a folded-boat conformation, with a very small angle (106°) between the two benzo-group planes of the (6,7,6) system.

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References

  • Bandoli, G., and Nicolini, M. (1982)J. Cryst. Spectrosc. Res.,12, 425.

    Google Scholar 

  • Bandoli, G., and Nicolini, M. (1983)J. Cryst. Spectrosc. Res.,13, 191.

    Google Scholar 

  • Cromer, D. T., and Mann, J. B. (1968)Acta Cryst. A 24, 321.

    Google Scholar 

  • Germain, G., Main, P., and Woolfson, M. M. (1971)Acta Cryst. A 27, 368.

    Google Scholar 

  • Howells, E. R., Phillips, D. C., and Rogers, D. (1950)Acta Cryst 3, 210.

    Google Scholar 

  • Karle, I. L., Dragonette, K. S., and Brenner, S. A. (1965)Acta Cryst. 19, 713.

    Google Scholar 

  • Koch, M. H. J., and Evrard, G. (1974)Acta Cryst. B 30, 2925.

    Google Scholar 

  • Marsh, R. E., and Schomaker, V. (1979)Inorg. Chem. 18, 2331.

    Google Scholar 

  • Marsh, R. E. (1980)J. Cryst. Mol. Struct. 10, 163.

    Google Scholar 

  • Marsh, R. E. (1981)Acta Cryst. B 37, 1985.

    Google Scholar 

  • Mostad, A., Rømming, C., and Tressum, L. (1977)Acta Chem. Scand. B 31, 119.

    Google Scholar 

  • Motherwell, W. D. S. (1976)Pluto. Program for Plotting Crystal and Molecular Structures, Univ. of Cambridge, England.

    Google Scholar 

  • Post, M. L., and Horn, A. S. (1977)Acta Cryst. B 33, 2590.

    Google Scholar 

  • Sheldrick, G. (1976)Shelx. A program for Crystal Structure Determination, Univ. of Cambridge, England.

    Google Scholar 

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Authors and Affiliations

  1. Facoltà di Farmacia, Università degli Studi di Padova, Via Marzolo 5, 35100, Padova, Italy

    Giuliano Bandoli & Marino Nicolini

Authors
  1. Giuliano Bandoli
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  2. Marino Nicolini
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Bandoli, G., Nicolini, M. Crystal and molecular structure of 3-methoxy-10-methyl-11-phenyl-11-hydroxy-10,11-dihydrodibenzo [b,f] thiepine. Journal of Crystallographic and Spectroscopic Research 13, 293–301 (1983). https://doi.org/10.1007/BF01158909

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  • DOI: https://doi.org/10.1007/BF01158909

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