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
T. V. Rybalova, V. M. Karpov, Y. V. Gatilov, M. M. Shakirov
Keywords: perfluorinated enaminoketones, indan, indene, complexes, synthesis, structure, single crystal X-ray diffraction, quantum chemical calculations
Pages: 522-529
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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