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

• الحاوية / القاعدة: Acta Crystallographica Section E: Crystallographic Communications
• المؤلفون الرئيسيون: Mehmet Akkurt, Farid N. Naghiyev, Victor N. Khrustalev, Khammed A. Asadov, Ali N. Khalilov, Ajaya Bhattarai, İbrahim G. Mamedov
• التنسيق: مقال
• اللغة: الإنجليزية
• منشور في: International Union of Crystallography 2023-09-01
• الموضوعات: crystal structure; e configuration; weak c—h...o interactions; face-to-face π–π stacking interactions; hirshfeld surface analysis
• الوصول للمادة أونلاين: http://scripts.iucr.org/cgi-bin/paper?S2056989023007387
• تدمد: 2056-9890

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%).