The title compound, methyl 6-amino-5-cyano-2-methyl-4-(3-nitrophenyl)-4H-pyran-3-carboxylate (C15H13N3O5), was synthesized, in 92 %
yield, by one-pot multicomponent reaction of 3-nitrobenzaldehyde, malononitrile and methyl acetoacetate using 10 mol% urea as an organocatalyst at room temperature.. It crystallizes in the triclinic space group P -1 with the unit-cell parameters: a= 8.1780(4), b= 8.3787(4), c=
11.8005(6) Å, α = 75.703(4)o
, β = 86.017(4)o
, γ = 72.983(4)o
and Z = 2. The crystal structure was solved by direct methods using singlecrystal X-ray diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0538
for 1896 observed reflections. The molecules within the unit cell are stabilized by C-H…O, N-H…O and N-H…N type of hydrogen
bonding. In addition π-π interactions are also observed in the crystal structure.
Key words: crystal structure, direct methods, hydrogen bond.
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