Probing the Inhibitory Potential of Halogenated Symmetrical Formamidine Against MAO-A and MAO-B: Structural Elucidation, Molecular Dynamic Simulation and DFT Computational Studies.

ABSTRACT: A halogenated symmetrical formamidine, N,N'-bis(3-chloro-4-fluorophenyl)formamidine (FCF) was synthesized by the condensation reaction between triethyl orthoformate and 3-chloro-4-fluoroaniline in 1:2 ratio. The compound FCF was characterized by FT-IR, mass, NMR (¹H and ¹³C) spectroscopic techniques and the purity was confirmed by elemental analysis. Crystal structural elucidation of FCF showed that it conformed to an E-anti-molecular isomer. In the crystal packing system of FCF, there exists N─H⋯N hydrogen bonding intermolecular interactions between the azomethine nitrogen (N-azomethine) and amine hydrogen (H-amine) atoms of neighboring molecules resulting in the formation of dimers with an R 22$\frac{2}{2}$ 8 graph set motif. Hirshfeld surface analysis unraveled tha

SUBMITTER: Oladipo SD 

PROVIDER: S-EPMC12533805 | biostudies-literature | 2025 Oct

REPOSITORIES: biostudies-literature