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

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. © 2025 Elsevier B.V., All rights reserved.