Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-tri-methyl-benzyl-idene)-3,4-di-hydro-naphthalen-1(2H)-one.

ABSTRACT: A novel chalcone, C₂₀H₂₀O, derived from benzyl-idene-tetra-lone, was synthesized via Claissen-Schmidt condensation between tetra-lone and 2,4,6-tri-methyl-benzaldehyde. In the crystal, mol-ecules are linked by C-H⋯O hydrogen bonds, producing R ₂ ²(20) and R ₂ ⁴(12) ring motifs. In addition, weak C-H⋯π and π-stacking inter-actions are observed. The inter-molecular inter-actions were investigated using Hirshfeld surface analysis and two-dimensional fingerprint plots, revealing that the most important contributions for the crystal packing are from H⋯H (66.0%), H⋯C/ C⋯H (22.3%), H⋯O/O⋯H (9.3%), and C⋯C (2.4%) inter-actions. Shape-index plots show π-π stacking inter-actions and the curvedness plots show flat

SUBMITTER: Baydere C 

PROVIDER: S-EPMC6658959 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature