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

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...

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Bibliographic Details
Published inArabian journal of chemistry Vol. 16; no. 7; p. 104843
Main Authors Salazar-Mendoza, Domingo, García-Gutiérrez, José Luis, Jiménez-Cruz, Federico
Format Journal Article
LanguageEnglish
Published Elsevier B.V 01.07.2023
Elsevier
Subjects
1, 5-diketone malonates
Hirshfeld surface analysis
Intermolecular hydrogen bonding
Intramolecular hydrogen bonding
Supramolecular architectures
Synthons
1, 5-diketone malonates
Intramolecular hydrogen bonding
Hirshfeld surface analysis
Supramolecular architectures
Intermolecular hydrogen bonding
Synthons
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Summary: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.
ISSN:1878-5352
1878-5379
DOI:10.1016/j.arabjc.2023.104843