Crystal structure and Hirshfeld surface analysis of (E)-2-(2,4,6-trimethylbenzylidene)-3,4-dihydronaphthalen-1(2H)-one

Acta Crystallographica Section E: Crystallographic Communications

Necmi Dege¹  Cemile Baydere¹  Yusuf Atalay²  Merve Taşçı²  Mustafa Arslan²  Irina A. Golenya³ 

[1] Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayıs University, 55139-Samsun, Turkey;Sakarya University, Faculty of Arts & Sciences, Chemistry Department, Sakarya, Turkey;Taras Shevchenko National University of Kyiv, Department of Chemistry, 64, Vladimirska Str., 01601, Kiev, Ukraine;

关键词: chalcone;    crystal structure;    hydrogen bond;    Hirshfeld surface analysis;   

DOI  :  10.1107/S2056989019006182

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown