(2E)-1-(2-Bromo­phen­yl)-3-(4-meth­oxy­phen­yl)prop-2-en-1-one

In the title compound, C(16)H(13)BrO(2), two benzene rings form a dihedral angle of 44.3 (9)°. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains propagating in [010]. The crystal packing also exhibits short Br⋯Br contacts of 3.4787 (8) Å. A comparison of the D...

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Detalles Bibliográficos
Autores principales: Jasinski, Jerry P., Butcher, Ray J., Veena, K., Narayana, B., Yathirajan, H. S.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3006708/
https://www.ncbi.nlm.nih.gov/pubmed/21587888
http://dx.doi.org/10.1107/S160053681002218X
Descripción
Sumario:In the title compound, C(16)H(13)BrO(2), two benzene rings form a dihedral angle of 44.3 (9)°. In the crystal, weak inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into chains propagating in [010]. The crystal packing also exhibits short Br⋯Br contacts of 3.4787 (8) Å. A comparison of the DFT-optimized gas-phase mol­ecular geometry with that in the crystal structure revealed only small differences.

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