Conformational analysis of some 4′-substituted 2-(phenylselanyl)- 2-(methoxy)- acetophenones

Zero-, one-, two- and three-dimensional supramolecular architectures sustained by Se…O chalcogen bonding: A crystallographic survey

“…The chemical diagrams of the 19 mono-nuclear selenium(II) molecules aggregating to form linear supramolecular chains in their crystals based on Se … O chalcogen bonding contacts, i.e. 56 – 74 [12] , [120] , [121] , [122] , [123] , [124] , [125] , [126] , [127] , [128] , [129] , [130] , [131] , [132] , [133] , [134] , [135] , [136] , [137] , are shown in Fig. 6 .…”

“…7 a shows the formation of Se … O(ether) contacts giving rise to the chain in the crystal of 56 [120] . Molecules 57 [121] , 58 [122] , 59 [123] and 60 [124] employ carbonyl-oxygen atoms in the chalcogen bonding interaction. As seen in Fig.…”

2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis

“…As part of our ongoing studies on the conformational and electronic characteristics of some -thiocarbonyl, -bis-thiocarbonyl and -thio--oxacarbonyl compounds, e.g. N,Ndiethyl-2-[(4 0 -substituted)phenylthio]acetamides (Vinhato et al, 2013), 1-methyl-3-phenylsulfonyl-2-piperidones (Zukerman-Schpector et al, 2008), 3,3-bis[(4 0 -substituted) phenylsulfanyl]-1-methyl-2-piperidones (Olivato et al, 2013), 2alkylthio-2-alkylsulfinyl-acetophenones and 2-alkylthio-2phenylsulfonyl-acetophenones, 2-alkylsulfinyl-2-alkylsulfonylacetophenones (Distefano et al, 1996), 2-methoxy-2-[(4 0substituted) phenylsulfanyl]-acetophenones (Zukerman-Schpector et al, 2015;Caracelli et al, 2015) and 2-methoxy-2-(phenylselanyl)-(4 0 -substituted)acetophenones (Traesel et al, 2018), utilizing infrared spectroscopy, computational chemistry and X-ray diffraction methods, the title compound (I) was synthesized and characterized. The primary motivation behind this work is the search for selenium/sulfur-containing compounds with anti-inflammatory activity that could be selective COX-2 inhibitors (Cerqueira et al, 2015(Cerqueira et al, , 2017.…”

Spectroscopic and theoretical studies of some 2‑(methoxy)‑2‑[(4‑substituted)‑phenylsulfanyl]‑(4′‑substituted) acetophenones

“…In particular, these compounds became spectroscopically interesting as the α substituents are expected to compete for the syn-clinal or anti-clinal (gauche) and synperiplanar (cis) geometries with respect to the carbonyl group, due to differences in the orbital and electrostatic interactions that stabilizes the conformers. Finally, this work is an extension of recent conformational studies on the 2-(phenylselanyl)-2-(methoxy)acetophenones, 2-(phenylseleno)-2-(ethylsulfanyl)-acetophenones and their mono-and di-oxygenated derivatives [5][6][7]22].…”