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

被引：12

作者：

Baydere, Cemile ^{[1
]}

Tasci, Merve ^{[2
]}

Dege, Necmi ^{[1
]}

Arslan, Mustafa ^{[2
]}

Atalay, Yusuf ^{[2
]}

Golenya, Irina A. ^{[3
]}

机构：

[1] Ondokuz Mayis Univ, Fac Arts & Sci, Dept Phys, TR-55139 Samsun, Turkey

[2] Sakarya Univ, Fac Arts & Sci, Chem Dept, Sakarya, Turkey

[3] Taras Shevchenko Natl Univ Kyiv, Dept Chem, 64 Vladimirska Str, UA-01601 Kiev, Ukraine

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS | 2019年 / 75卷

关键词：

chalcone; crystal structure; hydrogen bond; Hirshfeld surface analysis; INHIBITORY PROPERTIES; CHALCONE; FLAVONOIDS;

D O I：

10.1107/S2056989019006182

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

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.

引用

页码：746 / +

页数：10

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