Research Article: 4-[(1E)-3-(2,6-Dichloro-3-fluoro­phen­yl)-3-oxoprop-1-en-1-yl]benzonitrile

Date Published: May 01, 2012

Publisher: International Union of Crystallography

Author(s): Aletti S. Praveen, Hemmige S. Yathirajan, Badiadka Narayana, Thomas Gerber, Eric Hosten, Richard Betz.


In the title mol­ecule, C16H8Cl2FNO, the benzene rings form a dihedral angle of 78.69 (8)°. The F atom is disordered over two positions in a 0.530 (3):0.470 (3) ratio. The crystal packing exhibits π–π inter­actions between dichloro-substituted rings [centroid–centroid distance = 3.6671 (10) Å] and weak inter­molecular C—H⋯F contacts.

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For the biological activity of chalcones, see: Rajendra Prasad et al. (2008 ▶); Shivakumar et al. (2005 ▶); Churkin et al. (1982 ▶); Herencia et al. (1998 ▶). For a related structure, see: Betz et al. (2012 ▶). For the graph-set analysis of hydrogen bonds, see: Etter et al. (1990 ▶); Bernstein et al. (1995 ▶).