Crystal structure and spectroscopic study of methyl (Z)-6-anilino-4-cyano-2,3-dimethoxy-6-azapentafulvene-1-carboxylate

The molecular and crystal structures of the title compound have been determined. The crystals are monoclinic: C2/c (15), a=21.787(7), b=7.025(6), c=20.165(8) Å, β=96.03(2)°, V_c =3069 ų, Z=8, D_x=1.36 mg m^-3, λ=(Mo K α)=0.71069 Å. The structure was solved by direct methods and refined with 1484 reflections to a final R value of 0.057. Mass and spectral data (ir, uv,¹H and¹³C nmr) are also reported. The structure appears to be polyolefinic having two independent push-pull systems on the fulvenic ring.