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

In the title com­pound, 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 mol­ecules are linked into chains by weak C—H⋯O inter­actions along the b axis. Successive chains form a zigzag structur...

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Detalles Bibliográficos
Autores principales: Akkurt, Mehmet, Naghiyev, Farid N., Khrustalev, Victor N., Asadov, Khammed A., Khalilov, Ali N., Bhattarai, Ajaya, Mamedov, İbrahim G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10483568/
https://www.ncbi.nlm.nih.gov/pubmed/37693662
http://dx.doi.org/10.1107/S2056989023007387
Descripción
Sumario:In the title com­pound, 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 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%).