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Shishkina SV, Shishkin OV, Vlasenko YD, et al. 2,3,4,6,7,8,9,10-Octa-hydro-pyrimido[1,2-a]azepin-1-ium 2-cyano-1-(2,6-dimethylanilino)-2-(phenyl-sulfonyl)ethenethiol-ate. Acta Crystallogr Sect E Struct Rep Online. 2007;64:o255doi: 10.1107/S1600536807065518.
Shishkina, S. V., Shishkin, O. V., Vlasenko, Y. D., Parkhomenko, O. O., & Kovalenko, S. M. (2007). 2,3,4,6,7,8,9,10-Octa-hydro-pyrimido[1,2-a]azepin-1-ium 2-cyano-1-(2,6-dimethylanilino)-2-(phenyl-sulfonyl)ethenethiol-ate. Acta crystallographica. Section E, Structure reports online, 64o255. https://doi.org/10.1107/S1600536807065518
Shishkina, Svetlana V, et al. "2,3,4,6,7,8,9,10-Octa-hydro-pyrimido[1,2-a]azepin-1-ium 2-cyano-1-(2,6-dimethylanilino)-2-(phenyl-sulfonyl)ethenethiol-ate." Acta crystallographica. Section E, Structure reports online vol. 64 (2007): o255. doi: https://doi.org/10.1107/S1600536807065518
Shishkina SV, Shishkin OV, Vlasenko YD, Parkhomenko OO, Kovalenko SM. 2,3,4,6,7,8,9,10-Octa-hydro-pyrimido[1,2-a]azepin-1-ium 2-cyano-1-(2,6-dimethylanilino)-2-(phenyl-sulfonyl)ethenethiol-ate. Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 12;64:o255. doi: 10.1107/S1600536807065518. PMID: 21200820; PMCID: PMC2915312.
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Acta Crystallogr Sect E Struct Rep Online. 2007 Dec 12;64:o255. doi: 10.1107/S1600536807065518.

2,3,4,6,7,8,9,10-Octa-hydro-pyrimido[1,2-a]azepin-1-ium 2-cyano-1-(2,6-dimethylanilino)-2-(phenyl-sulfonyl)ethenethiol-ate.

Acta crystallographica. Section E, Structure reports online

Svetlana V Shishkina, Oleg V Shishkin, Yuriy D Vlasenko, Oleksiy O Parkhomenko, Sergey M Kovalenko

PMID: 21200820 PMCID: PMC2915312 DOI: 10.1107/S1600536807065518

Abstract

In the title compound, C(9)H(17)N(2) (+)·C(17)H(15)N(2)O(2)S(2) (-), the Csp(2)-N bonds in the tetra-hydro-pyrimidine ring of the cation are delocalized. The negative charge is localized on the S atom of the thione group. Cations and anions are linked by N-H⋯S inter-molecular hydrogen bonds.

References

  1. J Am Chem Soc. 2003 Sep 24;125(38):11597-606 - PubMed
  2. J Org Chem. 2004 Nov 12;69(23):8005-11 - PubMed

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