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

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Abstract

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.

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Authors and Affiliations

  1. Institute of Biochemistry and Physiology of Plants and Microorganisms, Russian Academy of Sciences, Saratov, Russia

    V. S. Grinev

  2. Institute of Chemistry, Chernyshevsky Saratov State University, Saratov, Russia

    V. S. Grinev, E. I. Linkova, D. S. Vasilchenko & A. Yu. Egorova

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  1. V. S. Grinev
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  2. E. I. Linkova
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  3. D. S. Vasilchenko
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  4. A. Yu. Egorova
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Correspondence to V. S. Grinev.

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Russian Text © The Author(s), 2019, published in Zhurnal Strukturnoi Khimii, 2019, Vol. 60, No. 10, pp. 1753–1757.

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Grinev, V.S., Linkova, E.I., Vasilchenko, D.S. et al. Crystal Structure, Packing, and Analysis of Hirshfeld Surfaces of 3a-(p-tolyl)-3,3a-dihydrobenzo[d]pyrrolo[2,1-b]thiazol-1(2H)-one. J Struct Chem 60, 1688–1692 (2019). https://doi.org/10.1134/S0022476619100159

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  • DOI: https://doi.org/10.1134/S0022476619100159

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