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    Please use this identifier to cite or link to this item: https://ir.csmu.edu.tw:8080/ir/handle/310902500/20462


    Title: Synthesis, anticancer evaluation in vitro, DFT, Hirshfeld surface analysis of some new 4-(1,3-benzothiazol-2-yl)-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-one derivatives
    Authors: Chakib, I.
    El Bakri, Y.
    Lai, C.-H.
    Benbacer, L.
    Zerzouf, A.
    Essassi, E.M.
    Mague, J.T.
    Contributors: 中山醫學大學醫學應用化學系
    Keywords: Thiazines;Rings (components);Synthesized compounds
    Date: 2019-12
    Issue Date: 2019-11-21T03:11:56Z (UTC)
    Publisher: Journal of Molecular Structure
    ISSN: 0022-2860
    Abstract: A new method for synthesizing compounds having benzothiazole and pyrazole moieties in their backbone has been successfully performed, based on the rearrangement of pyrazolylylidene-pyranopyrazolone in the presence of o-aminothiophenol in hot n-butanol. The new compound has been alkylated with different alkylating agents under phase transfer catalysis conditions. A Hirshfeld surface analysis for visually analyzing intermolecular interactions in crystal structures employing molecular surface contours and 2D fingerprint plots has been used to examine molecular shapes. The gas-phase geometries of the new compound and one alkylated derivative were studied by the DFT-B3LYP method. The anticancer properties of the compounds obtained have been evaluated. © 2019 Elsevier B.V.
    URI: https://ir.csmu.edu.tw:8080/ir/handle/310902500/20462
    Relation: Journal of Molecular Structure, Volume 1198, NO. 126910
    Appears in Collections:[醫學應用化學系暨碩士班] 期刊論文

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