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Molecular and crystal structure of N-[2H-1,4-benzoxazin-3(4H)-ylidene]-cyclohexane aminium chloride

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Abstract

X-ray diffraction investigation showed that protonation of 4H-benzo-[1,4]-oxazin-3-ylidene-cyclohexylamine occurs at the exocyclic nitrogen atom. In crystal, the cation has a structure with a distinct exocyclic C=N bond.

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References

  1. T. Nogrady, Medicinal Chemistry, Oxford University Press, Oxford (1988).

    Google Scholar 

  2. G. M. Sheldrick, SHELXTL PLUS, PC Version, Rev.5.1 (1998).

  3. P. Hohenberg and W. Kohn, Phys. Rev. B, 136, 864–871 (1964).

    Article  Google Scholar 

  4. W. Kohn and L. J. Sham, Phys. Rev. A, 140, 1133–1138 (1965).

    Article  Google Scholar 

  5. D. R. Salahub and M. C. Zerner, The Challenge of d and f Electrons, ACS, Washington (1989).

    Google Scholar 

  6. R. G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules, Oxford University Press, Oxford (1989).

    Google Scholar 

  7. D. E. Woon and T. H. Dunning, J. Chem. Phys., 98, 1358–1364 (1993).

    Article  CAS  Google Scholar 

  8. T. P. Straatsma, E. Apra, T. L. Windus, et al., NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.5 (2003).

  9. Yu. V. Zefirov and P. M. Zorky, Usp. Khim., 58, No. 5, 713–731 (1989).

    CAS  Google Scholar 

  10. N. S. Zefirov, V. A. Palyulin, and E. E. Dashevskaya, J. Phys. Org. Chem., No. 3, 147–158 (1990).

    Google Scholar 

  11. T. Nagao, H. Otsuka, H. Kohda, et al., Phytochemistry, 24, 2959–2962 (1985).

    Article  CAS  Google Scholar 

  12. M. Breznik, S. G. Grdadolnik, G. Giester, et al., J. Org. Chem., 66, 7044–7050 (2001).

    Article  CAS  Google Scholar 

  13. K. Peters, E.-M. Peters, M. Ach, et al., Z. Kristallogr., 213, 711/712 (1988).

    Google Scholar 

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Authors and Affiliations

  1. Institute of Scintillation Materials of NAS of Ukraine, Kharkov

    S. V. Shishkina, S. M. Desenko & O. V. Shishkin

  2. T. G. Shevchenko Chernigov Pedagogical University, Ukraine

    K. G. Nazarenko

Authors
  1. S. V. Shishkina
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  2. S. M. Desenko
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  3. K. G. Nazarenko
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  4. O. V. Shishkin
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Additional information

Original Russian Text Copyright © 2005 by S. V. Shishkina, S. M. Desenko, K. G. Nazarenko, and O. V. Shishkin

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Translated from Zhurnal Strukturnoi Khimii, Vol. 46, No. 1, pp. 193–197, January–February, 2005.

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Shishkina, S.V., Desenko, S.M., Nazarenko, K.G. et al. Molecular and crystal structure of N-[2H-1,4-benzoxazin-3(4H)-ylidene]-cyclohexane aminium chloride. J Struct Chem 46, 191–194 (2005). https://doi.org/10.1007/s10947-006-0030-4

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  • DOI: https://doi.org/10.1007/s10947-006-0030-4

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