Crystal structure and Hirshfeld surface analyses, inter­molecular inter­action energies and energy frameworks of methyl 6-amino-5-cyano-2-(2-meth­oxy-2-oxoeth­yl)-4-(4-nitro­phen­yl)-4H-pyran-3-carboxyl­ate

Abstract

The title compound contains pyran and phenyl rings, with the pyran ring in a flattened-boat conformation. In the crystal, inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into centrosymmetric dimers, forming R²₂(12) ring motifs, which are linked by N—H⋯O hydrogen bonds into a three-dimensional architecture. In addition to van der Waals inter­actions and N—H⋯N and N—H⋯O hydrogen bonds, halogen bonds, tetrel bonds and pnictogen bonds also play an important role in the cohesion of the crystal structure.

The title compound, C₁₇H₁₅N₃O₇, contains pyran and phenyl rings, with the pyran ring exhibiting a flattened-boat conformation. In the crystal, inter­molecular N—H⋯N hydrogen bonds link the mol­ecules into centrosymmetric dimers, forming R²₂(12) ring motifs. These dimers are linked through N—H⋯O hydrogen bonds into a three-dimensional architecture. A Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are from H⋯O/O⋯H (29.7%), H⋯H (28.7%), H⋯C/C⋯H (16.0%) and H⋯N/N⋯H (12.9%) inter­actions. In addition to van der Waals inter­actions and N—H⋯N and N—H⋯O hydrogen bonds, halogen bonds, tetrel bonds and pnictogen bonds also play an important role in the cohesion of the crystal structure.