Research Article: 6-Meth­oxy­meth­oxy-7-trifluoro­methyl-1,3-benzodioxole-5-carbaldehyde

Date Published: July 01, 2012

Publisher: International Union of Crystallography

Author(s): Yanfeng Wang, Xinhui Pan, Dexiu Liu, Hong-Xiang Lou.

http://doi.org/10.1107/S1600536812022490

Abstract

The title compound, C11H9F3O5, crystallizes with three mol­ecules in the asymmetric unit. One –CF3 group is disordered by rotation, with the F atoms split over two sets of sites with occupancies which converged to 0.888 (6) and 0.112 (6). Weak π–π inter­actions are observed between adjacent benzene rings [the shortest centroid–centroid distance is 3.8858 (4) Å], resulting in the formation of a supra­molecular chain along [100].

Partial Text

For the enhancement of the biological activity of F and CF3 containing mol­ecules compared to their unfluorinated analogues, see: Vrábel et al. (2007 ▶); Wilson & Danishefsky (2010 ▶); Bravo et al. (1994 ▶); Jung et al. (2002 ▶). For the synthesis of the title compound, an inter­mediate for the synthesis of biologic­ally active compounds, see: Corey et al. (1996 ▶); Weeratunga et al. (1987 ▶); Wu et al. (2004 ▶).

 

Source:

http://doi.org/10.1107/S1600536812022490

 

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