Title of article
Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one
Author/Authors
Baydere, Cemile Department of Physics - Faculty of Arts and Sciences - Ondokuz Mayıs University, Turkey , Taşçı, Merve Sakarya University - Faculty of Arts & Sciences - Chemistry Department, Sakarya, Turkey , Dege, Necmi Department of Physics - Faculty of Arts and Sciences - Ondokuz Mayıs University, Turkey , Arslan, Mustafa Sakarya University - Faculty of Arts & Sciences - Chemistry Department, Sakarya, Turkey , Atalay, Yusuf Sakarya University - Faculty of Arts & Sciences - Chemistry Department, Sakarya, Turkey , Golenya, Irina A. Taras Shevchenko National University of Kyiv - Department of Chemistry, Ukraine
Pages
10
From page
1
To page
10
Abstract
A novel chalcone, C20H20O, derived from benzylidenetetralone, was synthesized via Claissen–Schmidt condensation between tetralone and 2,4,6-trimethylbenzaldehyde. In the crystal, molecules are linked by C—H⋯O hydrogen bonds, producing R22(20) and R24(12) ring motifs. In addition, weak C—H⋯π and π-stacking interactions are observed. The intermolecular interactions 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%) interactions. Shape-index plots show π–π stacking interactions and the curvedness plots show flat surface patches characteristic of planar stacking.
Keywords
chalcone , crystal structure , hydrogen bond , Hirshfeld surface analysis
Journal title
Acta Crystallographica Section E: Crystallographic Communications
Serial Year
2019
Record number
2628494
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