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Preparation, molecular and crystal structures of 3-(1-amino-2,2,2-trifluoroethylidene)-1,1,4,5,6,7-hexafluoroindan-2-one, 2-amino-1,1,4,5,6,7-hexafluoro-3-trifluoroacetylindene, and their complexes with dioxane and pyridine

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Abstract

3-(1-Amino-2,2,2-trifluoroethylidene)-1,1,4,5,6,7-hexafluoroindan-2-one (2) is synthesized by the interaction between 3-(1-amino-2,2,2-trifluoroethylidene)-2-imino-1,1,4,5,6,7-hexafluoroindan (1) and isopropylnitrite, and 2-amino-1,1,4,5,6,7-hexafluoro-3-trifluoroacetylindene (3) is prepared by hydrolysis. Single crystals are grown, and the molecular and crystal structure of enaminoketones obtained, the complex of compound 2 with 1,4-dioxane, and the complex of compound 3 with pyridine is studied. DFT calculations have been performed to find the complex formation energies of compounds 2 and 3 with dioxane and pyridine in the gas phase.

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Authors and Affiliations

  1. N. N. Vorozhtsov Institute of Organic Chemistry, Siberian Division, Russian Academy of Sciences, Novosibirsk, Russia

    T. V. Rybalova, V. M. Karpov, Yu. V. Gatilov & M. M. Shakirov

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  1. T. V. Rybalova
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  2. V. M. Karpov
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  3. Yu. V. Gatilov
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  4. M. M. Shakirov
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Corresponding author

Correspondence to V. M. Karpov.

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Original Russian Text Copyright © 2008 by T. V. Rybalova, V. M. Karpov, Yu. V. Gatilov, and M. M. Shakirov

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Translated from Zhurnal Strukturnoi Khimii, Vol. 49, No. 3, pp. 522–529, May–June, 2008.

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Rybalova, T.V., Karpov, V.M., Gatilov, Y.V. et al. Preparation, molecular and crystal structures of 3-(1-amino-2,2,2-trifluoroethylidene)-1,1,4,5,6,7-hexafluoroindan-2-one, 2-amino-1,1,4,5,6,7-hexafluoro-3-trifluoroacetylindene, and their complexes with dioxane and pyridine. J Struct Chem 49, 504–511 (2008). https://doi.org/10.1007/s10947-008-0069-5

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  • DOI: https://doi.org/10.1007/s10947-008-0069-5

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