Date Published: February 01, 2012
Publisher: International Union of Crystallography
Author(s): Richard Betz, Thomas Gerber, Eric Hosten, Aletti S. Praveen, Hemmige S. Yathirajan, Badiadka Narayana.
In the title compound, C15H8Cl2F2O, the C=C double bond is in the E configuration. In the cyrstal, C—H⋯O hydrogen bonds connect the molecules into chains along the c axis. A π–π interaction of 3.628 (1) Å is also observed between two polyhalogenated benzene rings. The dichlorosubstituted ring exhibits partial disorder over two sets of sites, with site-occupancy factors of 0.573 (3) and 0.427 (3).
For pharmaceutical background to chalcones, see: Nielsen et al. (2004 ▶); Modzelewska et al. (2006 ▶); Nowakowska (2007 ▶); Ni et al. (2004 ▶). For related structures, see: Yathirajan et al. (2006 ▶, 2007 ▶); Betz et al. (2011 ▶). For graph-set analysis of hydrogen bonds, see: Etter et al. (1990 ▶); Bernstein et al. (1995 ▶).