Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 8 (August 2013)


organic compounds



kj2229 scheme

Acta Cryst. (2013). E69, o1355-o1356    [ doi:10.1107/S1600536813020679 ]

4-[4-(Heptyloxy)benzoyloxy]phenyl 2-oxo-7-trifluoromethyl-2H-chromene-3-carboxylate

H. C. Devarajegowda, B. S. Palakshamurthy, H. N. Harishkumar, P. A. Suchetan and S. Sreenivasa

Abstract: The title compound, C31H27F3O7, is a liquid crystal and exhibits enantiotropic SmA and nematic phase transitions. In the crystal, the the 2H-chromene ring system makes dihedral angles of 54.46 (17) and 7.79 (16)°, respectively, with the central benzene ring and 4-(heptyloxy)benzene ring. The three F atoms of the -CF3 group are disordered over two sets of sites, with an occupancy ratio of 0.62 (3):0.38 (3). The crystal structre features two pairs of C-H...O hydrogen bonds, which form inversion dimers and generate R22(10) and R22(30) ring patterns. C-H...O interactions along [100] and C-H...[pi] interactions futher consolidate the packing, leading to a three-dimensional network.


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