Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 3 (March 2013)


organic compounds



lh5585 scheme

Acta Cryst. (2013). E69, o417-o418    [ doi:10.1107/S1600536813004522 ]

2-Amino-7,7-dimethyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile

R. Kant, V. K. Gupta, K. Kapoor, D. R. Patil, D. R. Chandam and M. B. Deshmukh

Abstract: In the title molecule, C19H17F3N2O2, the fused cyclohexene and pyran rings adopt sofa and flattened boat conformations, respectively. The four essentially planar atoms of the pyran ring [maximum deviation = 0.008 (2) Å] form a dihedral angle of 88.13 (9)° with the benzene ring. The F atoms of the trifluoromethyl group were refined as disordered over three sets of sites in a 0.507 (7):0.330 (7):0.163 (3) ratio. In the crystal, molecules are connected into inversion dimers via pairs of N-H...N hydrogen bonds and these dimers are further linked by N-H...O hydrogen bonds into a two-dimensional network parallel to (100).


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