X-ray Crystallography of Methyl (6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran)-3-carboxylate

The organic carbonitrile namely methyl (6-amino-5-cyano-2-methyl-4-(2-nitrophenyl)-4H-pyran)-3-carboxylate is synthesized via one-pot multi-component reaction at room temperature using commercially available urea as inexpensive and environmentally benign organo-catalyst and its crystal structure is determined by X-ray technique. The crystals are monoclinic, sp. gr. C2/c, a = 12.3069(8) angstrom, b = 9.7023(7) angstrom, c = 24.812(2) angstrom, beta = 94.862(6)degrees, Z = 8. The dihedral angle between pyran and phenyl rings is 87.8(1)degrees; the pyran ring is almost planar The dihedral angle between the mean planes of phenyl ring and nitro group is 44.4(2)degrees. The crystal structure is stabilized by N-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds. In addition, C-H center dot center dot center dot pi interactions are also observed in the crystal structure.