A small library of C–H⋯O hydrogen bonds based on supramolecular architectures of 1,5-diketone malonates in the solid state

Abstract

Structural supramolecular architectures in the solid state of 1,5-diketone malonates 1a-g are proposed to construct a small library of hydrogen bonds by C–H⋯O interactions by crystal structure analysis. A possible route of crystallization mechanism at different levels of hierarchy considers the next strategic steps: a) Intramolecular interactions provide a kite-like molecular conformation. b) Intermolecular interactions provide molecular recognition between the structural unit, synthon, and macrocycles. c) The supramolecular architectures obtained from the conjunction of the multiple functions performed by the C–H⋯O interactions. X-ray studies and Hirshfeld Surface Analysis are described.

Keywords

• 1, 5-diketone malonates
• Supramolecular architectures
• Synthons
• Intermolecular hydrogen bonding
• Intramolecular hydrogen bonding
• Hirshfeld surface analysis