Crystal structure and Hirshfeld surface analyses, inter-molecular inter-action energies and energy frameworks of methyl 6-amino-5-cyano-2-(2-meth-oxy-2-oxoeth-yl)-4-(4-nitro-phen-yl)-4H-pyran-3-carboxyl-ate

甲基 6-氨基-5-氰基-2-(2-甲氧基-2-氧代乙基)-4-(4-硝基苯基)-4H-吡喃-3-羧酸酯的晶体结构和 Hirshfeld 表面分析、分子间相互作用能和能量框架

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Abstract

The title compound, C(17)H(15)N(3)O(7), contains pyran and phenyl rings, with the pyran ring exhibiting a flattened-boat conformation. In the crystal, inter-molecular N-H⋯N hydrogen bonds link the mol-ecules into centrosymmetric dimers, forming R (2) (2)(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%) inter-actions. In addition to van der Waals inter-actions 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.

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