期刊
ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
卷 75, 期 -, 页码 746-+出版社
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S2056989019006182
关键词
chalcone; crystal structure; hydrogen bond; Hirshfeld surface analysis
资金
- Ondokuz Mayis University [1906.19.001]
A novel chalcone, C20H20O, derived from benzylidenetetralone, was synthesized via Claissen-Schmidt condensation between tetralone and 2,4,6-trimethyl-benzaldehyde. In the crystal, molecules are linked by C-H center dot center dot center dot O hydrogen bonds, producing R-2(2)(20) and R-2(4)(12) ring motifs. In addition, weak C-H center dot center dot center dot pi and pi-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 center dot center dot center dot H (66.0%), H center dot center dot center dot C/C center dot center dot center dot H (22.3%), H center dot center dot center dot O/O center dot center dot center dot H (9.3%), and C center dot center dot center dot C (2.4%) interactions. Shape-index plots show pi-pi stacking interactions and the curvedness plots show flat surface patches characteristic of planar stacking.
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