Khalilov, Ali N.Cisterna, JonathanCardenas, AlejandroTuzun, BurakErkan, SultanV. Gurbanov, AtashBrito, Ivan2024-10-262024-10-2620240022-28601872-8014https://doi.org/10.1016/j.molstruc.2024.138652https://hdl.handle.net/20.500.12418/30721An important finding is that the ketalization of 2-bromo-3-(3,5-di-tert-butyl-4-hydroxyphenyl)-1-phenylprop-2en-1-one in the presence of amine has been presented. The structure of obtained 2-(3,5-di-tert-butyl-4hydroxyphenyl)-3,3-diethoxy-1-phenylpropan-1-one is fully characterized by IR, MS, 1 H, 13 C NMR spectrometry, as well as X-ray diffractometry. Experimental spectrum values of the molecule were compared with experimental data. Optimized structures of the molecule were obtained on the B3LYP, HF, M062X methods and 6 - 31 ++ G (d,p) basis set. Additionally, Hirshfeld surface analyses was performed in order to obtain information about the interactions in the crystal packing.en10.1016/j.molstruc.2024.138652info:eu-repo/semantics/closedAccessKetalHirshfeld surface analysesX-ray diffractionTopologyEnergy frameworkArticle13132-s2.0-85194755195Q2WOS:001249077000001N/A