Crystal structure and supramolecular architecture of antiallergic diphenylene diethyl dioxalamates

Juan Saulo González-González, Nancy Evelyn Magaña-Vergara, Efrén Venancio García-Báez, Itzia Irene Padilla-Martínez, Juan Pablo Mojica-Sánchez, Francisco Javier Martínez-Martínez

Research output: Contribution to journalArticlepeer-review

Abstract

The crystal structure and the supramolecular architectures of the antiallergic compounds N,N-(4,4-methanediyl-di-phenyl)-bis-diethyl dioxalamate (1); N,N-(4,4-oxydi-p-phenylene)-bis-diethyl dioxalamate (2); N,N-(4,4-biphenylene)-bis-diethyl dioxalamate (3) are reported. The supramolecular self-assembly in 1-3 is driven by N-H···O=C hydrogen bonds and reinforced by C-H···O=C, C-H···π and C=O···C=O interactions. The three compounds preferred to form cross-linked supramolecular architectures. Intermolecular interactions also were studied by the Hirshfeld surface analysis, revealing that the H···H, O···H, and C···H are the more dominant contacts in the three compounds. The knowledge of crystal structure will allow us to perform theoretical studies to evaluate the antiallergic activity of compounds 1-3.

Original languageEnglish
Article number1048
Pages (from-to)1-13
Number of pages13
JournalCrystals
Volume10
Issue number11
DOIs
StatePublished - Nov 2020

Keywords

  • Crystal structure
  • Diphenylene bis-diethyl dioxalamates
  • Hirshfeld surface analysis
  • Hydrogen bond

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