Abstract
The title compound, 2-amino-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile (C21H24FN3O3), crystallizes in the monoclinic space group C2/c with unit cell parameters: a=31.342(3), b= 9.3481(9), c= 15.9051(11) Ǻ, β= 118.687(9)o, Z = 8. The crystal structure was solved by direct methods and refined by full-matrix least-squares procedures to a final R-value of 0.0588 for 2776 observed reflections. The fused cyclohexene and pyran rings adopt sofa and boat conformations, respectively. The four essentially planar atoms (C1/C2/C5/C6) of pyran ring (maximum deviation = 0.0878A for C2) form a dihedral angle of 87.85(7)o with the benzene ring and is almost coplanar with the mean plane of the cyclohexene ring [dihedral angle = 7.23(7)o]. 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 twodimensional network.
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