Journal of Structural Chemistry

, Volume 60, Issue 10, pp 1688–1692 | Cite as

Crystal Structure, Packing, and Analysis of Hirshfeld Surfaces of 3a-(p-tolyl)-3,3a-dihydrobenzo[d]pyrrolo[2,1-b]thiazol-1(2H)-one

  • V. S. GrinevEmail author
  • E. I. Linkova
  • D. S. Vasilchenko
  • A. Yu. Egorova


Crystal and molecular structures of 3a-(p-tolyl)-3,3a-dihydrobenzo[d]pyrrolo[2,1-b]thiazole-1(2H)-one obtained by condensing 4-oxo-4-(p-tolyl)butane acid with 2-aminothiophenol are studied using XRD spectroscopy. The crystal of compound 1 occurs in the form of two crystallographically independent molecules. The crystal has no hydrogen bonds and stacking interactions, but the analysis of Hirshfeld surfaces shows that the molecules are weakly stabilized by non-covalent interactions between oxygen atoms and hydrogen atoms of methyl groups as well as by the interactions between hydrogen atoms and carbon atoms of the benzothiazole fragment.


X-ray diffraction analysis crystal structure dihydrobenzopyrrolothiazolone 


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Conflict of Interests

The authors declare that they have no conflict of interests.


  1. 1.
    G.-L. Shen, J. Sun, and C.-G. Yan. Org. Biomol. Chem., 2015, 13, 10929.CrossRefGoogle Scholar
  2. 2.
    G. Shen, J. Sun, and C. Yan. Chin. J. Chem., 2016, 34, 412.CrossRefGoogle Scholar
  3. 3.
    G. Trapani, M. Franco, A. Latrofa, G. Genchi, G. Siro Brigiani, M. Mazzoccoli, M. Persichella, M. Serra, G. Biggio, and G. Liso. Eur. J. Med. Chem., 1994, 29, 197.CrossRefGoogle Scholar
  4. 4.
    R. Chaniyara, S. Tala, C.-W. Chen, P.-C. Lee, R. Kakadiya, H. Dong, B. Marvania, C.-H. Chen, T.-C. Chou, T.-C. Lee, A. Shah, and T.-L. Su. Eur. J. Med. Chem., 2012, 53, 28.CrossRefGoogle Scholar
  5. 5.
    V. S. Grinev and A. Yu. Egorova. Acta Cryst., 2013, C69, 880.Google Scholar
  6. 6.
    Bruker. SAINT V7.23A; Bruker AXS Inc.: Billerica. MA, USA, 2005.Google Scholar
  7. 7.
    G. M. Sheldrick. SADABS v2008/1, Bruker/Siemens Area Detector Absorption Correction Program, 2008.Google Scholar
  8. 8.
    G. M. Sheldrick. Acta Cryst., 2015, C71, 3.Google Scholar
  9. 9.
    M. J. Turner, J. J. McKinnon, S. K. Wolff, D. J. Grimwood, P. R. Spackman, D. Jayatilaka, and M. A. Spackman. CrystalExplorer17. University of Western Australia, 2018.Google Scholar

Copyright information

© Pleiades Publishing, Ltd. 2019

Authors and Affiliations

  • V. S. Grinev
    • 1
    • 2
    Email author
  • E. I. Linkova
    • 2
  • D. S. Vasilchenko
    • 2
  • A. Yu. Egorova
    • 2
  1. 1.Institute of Biochemistry and Physiology of Plants and MicroorganismsRussian Academy of SciencesSaratovRussia
  2. 2.Institute of ChemistryChernyshevsky Saratov State UniversitySaratovRussia

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