Synthesis, Crystal Structure, Hirshfeld Surface Analysis, and Computational Study of a Novel Organic Salt Obtained from Benzylamine and an Acidic Component.

ABSTRACT: A novel Schiff base compound named as phenylmethanaminium (E)-4-((benzylimino)methyl)benzoate C₇H₁₀N⁺. C₁₅H₁₂NO₂ ^- (A) is synthesized by the chemical reaction of benzylamine and 4-carboxybenzaldehyde in ethanol, and the structure of the titled compound is verified using the single-crystal X-ray diffraction technique. Structural investigation inferred that the crystal packing is mainly stabilized by N-H···O and comparatively weak C-H···O bonding between the cation and anion and further stabilized by weak C-H···π and C-O···π interactions. Hirshfeld surface analysis is employed to explore the noncovalent interactions that are responsible for crystal packing quantitatively. Furthermore, we have used stat

SUBMITTER: Ashfaq M 

PROVIDER: S-EPMC8412916 | biostudies-literature | 2021 Aug

REPOSITORIES: biostudies-literature