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Crystal and molecular structure of 2,6-di (o-chloro)phenyl-3,5-dimethyl-N-nitrosopiperidin-4-one(NOCDMPO)

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Abstract

The title compound (C19H18O2N2Cl2) crystallized in the monoclinic space groupP21/n witha=13.062(2),b=10.931(2),c=13.120(2)Å, andβ=104.57(1)°. The structure was solved by direct methods and refined toR=0.047 for 2776 reflections. The piperidine ring assumes a distorted boat conformation. The angle between phenyl rings is 78.98(7)°. The nitroso group is oriented by 138.22(7)° to the best plane of the piperidine ring. The interaction between the molecules are van der Waals in nature.

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References

  • Allen, F. H., Kennard, O., Watson, D. G., Brammer, L., Orpen, A. G., and Taylor, R. (1987)J. Chem. Soc. Perkin Trans II, S1-S19.

    Google Scholar 

  • Bordeaux, D., and Lajzerowicz, J. (1974)Acta Crystallgr. B 30, 790.

    Google Scholar 

  • De Camp, W. H., Micovic, I. V., and Pelletier, S. W. (1974)Cryst. Struct. Commun. 3, 427.

    Google Scholar 

  • Ferguson, L. N. (1975)Chem. Soc. Rev. 4, 289.

    Google Scholar 

  • Frenz, B. A. (1978) The Enraf-Nonius CAD-4 SDP-A real-time system for concurrent X-ray data collection. InComputing in crystallography, H. Schenk, R. Olthof-Hazekamp, H. Van Koningsveld, and G. C. Bassi, (eds.) (Delft Univ. Press), pp. 64–71.

  • International Tables for X-ray Crystallography (1974). Vol. IV. (Kynoch Press, Birmingham) (present distributor Kluwer Academic Publishers, Dordrecht).

  • Jia, Z., Quail, J. W., Arora, V. K., and Dimmock, J. R. (1989)Acta Crystallogr. C 45, 1117.

    Google Scholar 

  • Karabatsos, G. J., and Taller, R. A. (1964)J. Am. Chem. Soc. 86, 4373.

    Google Scholar 

  • Lijinsky, W., and Epstein, S. S. (1970)Nature (London) 21, 225.

    Google Scholar 

  • Loeppky, R. N., Tomasik, W., and Kerride, B. E. (1987)Carcinogenesis 8, 941.

    Google Scholar 

  • Looney, C. E., Phillips, W. D., and Reilly, E. L. (1957)J. Am. Chem. Soc. 79, 6163.

    Google Scholar 

  • Lunazzi, L., Cerioni, G., and Ingold, K. U. (1976)J. Am. Chem. Soc. 98, 7484.

    Google Scholar 

  • Lunazzi, L., Cerioni, G., Foresti, E., and Macciantelli, D. (1978)J. Chem. Soc. Perkin Trans II, 686.

    Google Scholar 

  • Lunazzi, L., and Macciantelli, D. (1981)J. Chem. Soc. Perkin Trans II, 406.

    Google Scholar 

  • Magee, P. N., Montesano, R., and Preussmann, R. (1976)Chemical carcinogens, American Chemical Society, Washington, DC, p. 491.

    Google Scholar 

  • Motherwell, W. D. S., and Clegg, W. (1978)Pluto:Program for plotting molecular and crystal structures (University of Cambridge, England).

    Google Scholar 

  • Nardelli, M. (1983)Comput. Chem. 7, 95.

    Google Scholar 

  • Ravindran, T., Jeyaraman, R., Murray, R. W., and Singh, M. (1991)J. Org. Chem. 56, 4833.

    Google Scholar 

  • Rees, B., and Weiss, R. (1971)Acta Crystallogr. B 27, 932.

    Google Scholar 

  • Rogers, M. J., and Woodbrey, J. C. (1962)J. Phys. Chem. 66, 540.

    Google Scholar 

  • Roques, R., Declercq, J. P., Germain, G., Graffin, P., Kamenka, J. M., and Geneste, P. (1981)Acta Crystallogr. B 37, 712.

    Google Scholar 

  • Schmelts, I., and Hoffmann, D. (1977)Chem. Rev. 77, 295.

    Google Scholar 

  • Sheldrick, G. M. (1986)Shelxs-86. A program for crystal structure solution (Institut für Anorganische Chemie der Universität, Göttingen, Germany).

    Google Scholar 

  • Sheldrick, G. M. (1976)Shelx 76: Program for crystal structure determination (University of Cambridge, England).

    Google Scholar 

  • Ugliengo, P., Borzani, G., and Viterbo, D. (1987) A program for the graphical manipulation of molecules on personal computers, Instituto di chimica Fisica, Torini, Italy.

    Google Scholar 

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Sukumar, N., Ponnuswamy, M.N., Thenmozhiyal, J.C. et al. Crystal and molecular structure of 2,6-di (o-chloro)phenyl-3,5-dimethyl-N-nitrosopiperidin-4-one(NOCDMPO). Journal of Crystallographic and Spectroscopic Research 23, 871–875 (1993). https://doi.org/10.1007/BF01195734

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  • DOI: https://doi.org/10.1007/BF01195734

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