Abstract

The title compound, 2-amino-4-isopropyl-5-oxo-4,5-dihydropyrano[3,2-c]chromene-3-carbonitrile (C16H14N2O3) is synthesized via one-pot
multi-component reaction (MCR) at room temperature using commercially available urea as inexpensive and environmentally benign organo
catalyst and crystallizes in the triclinic space group P -1 with the unit-cell parameters: a = 7.8231(4), b = 8.0622(4), c = 12.3038(5) Å, α =
99.443(4)o
, β = 102.419(4)o
, γ = 109.907(4)o
and Z = 2. The crystal structure was solved by direct methods using single-crystal X-ray
diffraction data collected at room temperature and refined by full-matrix least-squares procedures to a final R-value of 0.0405 for 2118
observed reflections. The packing of molecules within the unit cell is stabilized by N-H…O and N-H…N type of intermolecular hydrogen
interactions. In addition C-H…π and π-π interactions are also observed in the crystal structure.

Key words: : 2-amino-4-isopropyl-5-oxo-4,5-dihydropyrano[3,2-C]chromene-3-carbonitrile, X-ray structure, space group, direct methods, π-π interactions.