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An unusual conformational change in the folded trimethylene/leonard linker pyrazolo[3,4-d]pyrimidine analogue of the theophylline compound due to structural changes

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Abstract

The title compound C29H28N8O4, 1,1′-(propane-1,3-diyl)bis(5-benzyl-7-methyl-1H-pyrazolo[3,4-d]••pyrimidine-4,6(5H,7H)-dione) is characterized by single crystal X-ray diffraction. It crystallizes in the centrosymmetric space group P \(\bar 1\), with two molecules in the unit cell. There is one formula unit in the asymmetric unit with a folded conformation due to arene interaction and an unusually large angle of 124° in the propylene linker. The crystal structure is stabilized due to the presence of π–π and C–H…O interactions.

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References

  1. L. S. Rosen and A. Hybl, Acta Crystallogr., B27, 952–960 (1971).

    Article  Google Scholar 

  2. M. Falk, W. Chew, J. A. Walter, W. Kwiatkowski, K. D. Barclay, and G. A. Klassen, Can. J. Chem., 76, No.1, 48–56 (1998).

    Article  CAS  Google Scholar 

  3. K. Avasthi, T. Chandra, D. S. Rawat, and D. S. Bhakuni, Indian J. Chem., 37B, 1228–1233 (1998).

    CAS  Google Scholar 

  4. Siemens XSCANS, Siemens Analytical X-ray Instruments Inc., Madison, Wisconsin, USA (1994).

  5. Bruker SHELXTL, Bruker AXS Inc., Madison, Wisconsin, USA (1997).

  6. K. Avasthi, T. Chandra, and D. S. Bhakuni, Indian J. Chem., 34B, 944–949 (1995).

    CAS  Google Scholar 

  7. G. Biswas, T. Chandra, K. Avasthi, and P. R. Maulik, Acta Crystallogr., 51C, 2453/2454 (1995).

    Google Scholar 

  8. K. Avasthi, D. S. Rawat, T. Chandra, and D. S. Bhakuni, Indian J. Chem., 37B, 754–759 (1998).

    CAS  Google Scholar 

  9. P. R. Maulik, K. Avasthi, G. Biswas, S. Biswas, D. S. Rawat, S. Sarkhel, T. Chandra, and D. S. Bhakuni, Acta Crystallogr., 54C, 275–277 (1998).

    Google Scholar 

  10. K. Avasthi, S. M. Farooq, R. Raghunandan, and P. R. Maulik, J. Mol. Struct., 527, Nos. 1-3, 27-36.

  11. D. T. Browne, J. Eisinger, and N. J. Leonard, J. Am. Chem. Soc., 90, No. 26, 7302–7323 (1968).

    Article  CAS  Google Scholar 

  12. A. Garcıa-Raso, J. J. Fiol, F. Badenas, X. Solans, and M. Font-Bardia, Polyhedron, 18, No. 6, 765–772 (1999).

    Article  Google Scholar 

  13. M. Watt, L. K. E. Hardebeck, C. C. Kirkpatrick, and M. Lewis, J. Am. Chem. Soc., 133, No. 11, 3854–3862 (2011).

    Article  CAS  Google Scholar 

  14. S. E. Wheeler, J. Am. Chem. Soc., 133, No. 26, 10262–10274 (2011).

    Article  CAS  Google Scholar 

  15. K. Avasthi, A. Tewari, D. S. Rawat, A. Sharon, and P. R. Maulik, Acta Crystallogr., 58C, o494/o495 (2002).

    Google Scholar 

  16. K. Avasthi, A. Kumar, S. Aswal, R. Kant, R. Raghunandan, P. R. Maulik, R. S. Khanna, and K. Ravikumar, CrystEngComm, 14, No. 2, 383–388 (2012).

    Article  CAS  Google Scholar 

  17. P. A. Wood, F. H. Allen, and E. Pidcock, CrystEngComm, 11, No. 8, 1563–1571 (2009).

    Article  CAS  Google Scholar 

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Authors and Affiliations

  1. Central Drug Research Institute (CDRI), Lucknow, 226031, India

    K. Avasthi, Ruchir Kant, S. Aswal, A. K. Tewari, U. Yadav & P. R. Maulik

  2. Department of Physics, University of Lucknow, Lucknow, 226007 (U. P.), India

    U. D. Misra

Authors
  1. K. Avasthi
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  2. Ruchir Kant
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  3. S. Aswal
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  4. A. K. Tewari
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  5. U. Yadav
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  6. U. D. Misra
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  7. P. R. Maulik
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Correspondence to K. Avasthi.

Additional information

Original Russian Text © 2015 K. Avasthi, Ruchir Kant, S. Aswal, A. K. Tewari, U. Yadava, U. D. Misra, P. R. Maulik.

The text was submitted by the authors in English. Zhurnal Strukturnoi Khimii, Vol. 56, No. 7, pp. 1492-1495, November-December, 2015.

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Avasthi, K., Kant, R., Aswal, S. et al. An unusual conformational change in the folded trimethylene/leonard linker pyrazolo[3,4-d]pyrimidine analogue of the theophylline compound due to structural changes. J Struct Chem 56, 1437–1440 (2015). https://doi.org/10.1134/S0022476615070306

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  • DOI: https://doi.org/10.1134/S0022476615070306

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