Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromophenyl)-3-(2-methylphenyl)prop-2-en-1-one

In the title compound, C16H13BrO, the planes of the aromatic rings are inclined at an angle of 23.49 (15)°, and the configuration about the C=C bond is E. In the crystal, the molecules are linked into chains by weak C - H...O interactions along the b axis. Successive chains form a zigzag structure along the c axis, and these chains are connected to each other by face-to-face π-π stacking interactions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals interactions, thus consolidating the crystal structure. Hirshfeld surface analysis showed that the most significant contacts in the structure are H...H (43.1%), C...H/H...C (17.4%), Br...H/H...Br (14.9%), C...C (11.9%) and O...H/H...O (9.8%). © 2023 International Union of Crystallography. All rights reserved.

Авторы
Akkurt M. , Naghiyev F.N. , Khrustalev V.N. , Asadov K.A. , Khalilov A.N. , Bhattarai A. , Mamedov I.G.
Издательство
International Union of Crystallography
Язык
Английский
Страницы
847-851
Статус
Опубликовано
Том
79
Год
2023
Организации
  • 1 Department of Physics, Faculty of Sciences, Erciyes University, Kayseri, 38039, Turkey
  • 2 Department of Chemistry, Baku State University, Z. Khalilov str. 23, Baku, AZ1148, Azerbaijan
  • 3 Peoples' Friendship University of Russia (RUDN University), Miklukho-Maklay St. 6, Moscow, 117198, Russian Federation
  • 4 N. D. Zelinsky Institute of Organic Chemistry RAS, Leninsky Prosp. 47, Moscow, 119991, Russian Federation
  • 5 'Composite Materials' Scientific Research Center, Azerbaijan State Economic University (UNEC), H. Aliyev str. 135, Baku, AZ1063, Azerbaijan
  • 6 Department of Chemistry, M.M.A.M.C. (Tribhuvan University), Biratnagar, Nepal
Ключевые слова
crystal structure; E configuration; face-to-face π-π stacking interactions; Hirshfeld surface analysis; weak C - H...O interactions
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