Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.

ABSTRACT: This investigation is focused on the synthesis of two halo-functionalized crystalline Schiff base (imine) compounds: (E)-2-methoxy-6-(((3-(trifluoromethyl)phenyl)imino)methyl)phenol (MFIP) and (E)-1-(((2-fluorophenyl)imino)methyl)naphthalen-2-ol (FPIN) by the condensation reaction of substituted benzaldehydes and substituted aniline. The crystal structures of MFIP and FPIN were determined unambiguously by single-crystal X-ray diffraction (SC-XRD) studies. Intermolecular interactions and the role of fluorine atoms in the stabilization of the crystal packing are explored for both compounds using Hirshfeld surface analysis. Accompanied with experimental studies, quantum chemical calculations were also performed for comprehensive structure elucidation

SUBMITTER: Ashfaq M 

PROVIDER: S-EPMC8943585 | biostudies-literature | 2022 Mar

REPOSITORIES: biostudies-literature