S. M, S. a, Nagaraja K.S.
Jan 7, 2022
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Journal
Molecular Crystals and Liquid Crystals
Abstract
Abstract A Schiff base E-4-{[(5-bromothiophen-2-yl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one (4ATP) has been synthesized by condensation 5-bromothiophene-2-carboxaldehyde with 4-amino antipyrine by condensation. The compound crystallized in the monoclinic system (P2 1 /n) with E-configuration at azomethine C = N bond. The Hirshfeld surface analysis and crystal structure data confirm the intramolecular hydrogen bonding interaction (C-H…O: 2.963 Å) in a conjugated six-membered cyclic structure. The IR, Raman, 1H NMR, 13C NMR and mass spectral studies have been interpreted based on the crystal structure data. The compound is more effective in its cytotoxic activity for the A549 cell line than that of Vero cells. Graphical Abstract