Crystal Structure and Molecular Conformational Studies of Allyl 6-Amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate

Abstract

The allyl 6-amino-5-cyano-4-(4-fluorophenyl)-2-methyl-4H-pyran-3-carboxylate, C₁₇H₁₅FN₂O₃, compound adopts a triclinic crystal system with the sp. gr. \(P\bar {1}\), Z = 2. The 4H-pyran ring adopts a boat conformation with their respective parameters (Q = 0.2384(26) Å, θ = 99.46(65)°, Φ = 10.3(7)°). The fluorophenyl ring is essentially planar. The dihedral angle between fluorophenyl and pyran rings is found to be 85.81(15)°. The structure is stabilized by intermolecular interaction. The N–H···N and N–H···O interactions form a graph set motifs of R\(_{2}^{2}\) (12) and R\(_{4}^{2}\) (20), respectively.