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

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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… Click to show full 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) A, 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.

Keywords: fluorophenyl methyl; cyano fluorophenyl; allyl amino; amino cyano; fluorophenyl; pyran

Journal Title: Crystallography Reports
Year Published: 2019

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