Synthesis, molecular structure, Hirshfeld surface, spectral investigations and molecular docking study of 3-(5-bromo-2-thienyl)-1-(4-fluorophenyl)-3-acetyl-2-pyrazoline (2) by DFT method
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2018.03.004
Abstract: Abstract The 3-(5-Bromo-2-thienyl)-1-(4-fluorophenyl)-3-acetyl-2-pyrazoline (2) (BTFA) was synthesized from condensation of thiophenechalcone (1) and hydrazine hydrate. The compound was characterized by FT-IR, 1H and 13C NMR. Crystal structure of this compound was determined using X-ray diffraction… read more here.
Keywords: thienyl fluorophenyl; fluorophenyl acetyl; acetyl pyrazoline; method ... See more keywords
Crystal structure, linear and nonlinear optical properties of three thiophenyl chalcone derivatives: A combined experimental and computational study
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DOI: 10.1016/j.optmat.2020.110462
Abstract: Abstract Three thiophenyl chalcone derivatives, (E)-1-(5-bromo-2-thienyl)-3-(4-bromophenyl)prop-2-en-1-one (B5B2SC), (E)-1-(5-bromo-2-thienyl)-3-(3-chlorophenyl)prop-2-en-1-one (3C5B2SC), and (E)-1-(5-bromo-2-thienyl)-3-(2-methoxyphenyl)prop-2-en-1-one (2M5B2SC), were successfully synthesized and crystallized. The structures were confirmed by experimental and theoretical FTIR and 1H NMR spectra. The crystal structures were determined… read more here.
Keywords: thiophenyl chalcone; three thiophenyl; chalcone derivatives; prop one ... See more keywords
Crystal growth and characterization of second- and third-order nonlinear optical chalcone derivative: (2E)-3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)prop-2-en-1-one
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Applied Crystallography"
DOI: 10.1107/s1600576718006386
Abstract: Experimental and computational studies of linear and nonlinear optical (NLO) properties of (2E)-3-(5-bromo-2-thienyl)-1-(4-nitrophenyl)prop-2-en-1-one (5B2SNC) single crystals are reported. Good-quality and large-sized single crystals of 5B2SNC were successfully grown and characterized by powder X-ray diffraction and… read more here.
Keywords: nitro phenyl; order; thienyl nitro; third order ... See more keywords