Crystal structure and Hirshfeld surface analysis of (2E)-1-(4-bromo-phen-yl)-3-(2-methyl-phen-yl)prop-2-en-1-one.

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作者:Akkurt Mehmet, Naghiyev Farid N, Khrustalev Victor N, Asadov Khammed A, Khalilov Ali N, Bhattarai Ajaya, Mamedov İbrahim G
In the title com-pound, C(16)H(13)BrO, 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 mol-ecules are linked into chains by weak C-H⋯O inter-actions 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 inter-actions along the a axis. These layers, parallel to the (001) plane, are linked by van der Waals inter-actions, 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%).

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