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Molecular structure of 3,7-dimethyl-9-thia-3,7-diazabicyclo[3.3.1]nonane-9,9-dioxide

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Abstract

By a single crystal X-ray diffraction study the molecular structure of 3,7-dimethyl-9-thia-3,7-diazabicyclo[3.3.1]nonane-9,9-dioxide having a chair-chair conformation with a diequatorial arrangement of methyl groups at nitrogen atoms is determined. Compound 1 C8H16N2O2S crystallizes in the space group Pnma with the following cell parameters: a = 11.0262(3) Å, b = 14.4490(3) Å, c = 6.1780(3) Å.

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References

  1. U.S. Pat. 6 887 881 B1 (2005).

  2. N. N. Yarmukhamedov, L. T. Karachurina, R. Yu. Khisamutdinova, F. S. Zarudiy, N. Z. Baibulatova, F. N. Dzhak- hangirov, V. A. Dokichev, Yu. V. Tomilov, M. S. Yunusov, and O. M. Nefedov, RF Patent No. 228179, Bul., No. 13 (2004).

    Google Scholar 

  3. Y. Wang, K. Tang, S. Inan, D. Siebert, U. Holzgrabe, D. Y. W. Lee, P. Huang, J-G. Li, A. Cowan, and L.-Y. Liu-Chen, J. Pharmacol. Exp. Ther., 312, 220 (2005).

    Article  CAS  Google Scholar 

  4. S. Z. Vatzadze, N. V. Zyk, A. V. Churakov, and L. G. Kuzmina, Chem. Heterocycl. Compd., 36, No. 9, 1103 (2000).

    Article  Google Scholar 

  5. R. A. Tamazyan, A. A. Karapetyan, and Ts. E. Agadzhanyan, J. Struct. Chem., 41, No. 5, 910 (2000).

    Article  CAS  Google Scholar 

  6. K. Rajesh, V. Vijayakumar, A. P. Safwan, Acta Crystallogr., E66, 1316 (2010).

    Google Scholar 

  7. L. I. Vlasova, N. Z. Baibulatova, D. R. Latypova, M. S. Yunusov, V. A. Dokichev, and Yu. V. Tomilov, Russ. Chem. Bull., Int. Ed., 54, No. 2, 479 (2005).

    Article  CAS  Google Scholar 

  8. Z. Otwinowski and W. Minor, Processing of X-Ray Diffraction Data Collected in Oscillation Mode, Academic Press, New York, 307–326 (1997); in Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, Eds. C.W. Carter, J. Sweet Academic Press, New York, USA, 307–326 (1997).

    Google Scholar 

  9. G. M. Sheldrick, Acta Crystallogr., A64, 112 (2008).

    Google Scholar 

  10. L. J. Farrugia, J. Appl. Crystallogr., 32, 837 (1999).

    Article  CAS  Google Scholar 

  11. G. M. Sheldrick, SADABS — Bruker AXS Scaling and Absorption Correction, Bruker AXS, Inc., Madison, Wisconsin, USA (2008).

    Google Scholar 

  12. K. Kim and K. D. Jordan, J. Phys. Chem., 98, No. 40, 10089 (1994).

    Article  CAS  Google Scholar 

  13. S. A. Grabovskiy, A. V. Antipin, E. V. Ivanova, V. A. Dokichev, Yu. V. Tomilov, and N. N. Kabal’nova, Org. Biomol. Chem., 5, No. 14, 2302 (2007).

    Article  CAS  Google Scholar 

  14. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G. A. Petersson, et al., Gaussian 09, Revision C.01; Gaussian, Inc.: Wallingford, CT (2010).

    Google Scholar 

  15. Cambridge Structural Database System, Release 2011, Version 5.32, Universty of Cambridge, UK.

  16. J. Herdklotz and R. L. Sass, Acta Crystallogr., Sect.B: Struct. Crystallogr. Cryst. Chem., 25, 1614 (1969).

    Article  CAS  Google Scholar 

  17. V. A. Palyulin, O. M. Grek, S. V. Emetz, K. A. Potekhin, A. E. Lysov, Tan Kong Way, R. T. Tiekink Edwart, and N. S. Zefirov, Dokl. Akad. Nauk, 370, No. 1, 53 (2000).

    CAS  Google Scholar 

  18. P. H. McCabe, N. J. Milne, and G. A. Sim, J. Chem. Soc., Chem. Commun., 625 (1985).

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Correspondence to V. A. Dokichev.

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Original Russian Text Copyright © 2013 by L. I. Vlasova, N. Z. Baibulatova, S. A. Grabovski, M. Haukka, V. A. Dokichev, Yu. V. Tomilov

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Translated from Zhurnal Strukturnoi Khimii, Vol. 54, No. 2, pp. 402–404, March–April, 2013.

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Vlasova, L.I., Baibulatova, N.Z., Grabovski, S.A. et al. Molecular structure of 3,7-dimethyl-9-thia-3,7-diazabicyclo[3.3.1]nonane-9,9-dioxide. J Struct Chem 54, 465–467 (2013). https://doi.org/10.1134/S0022476613020297

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  • DOI: https://doi.org/10.1134/S0022476613020297

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