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.
Highlights
Allergic conjunctivitis is a disease characterized by the ocular conjunctiva inflammation
Diphenylene diethyl dioxalamates 1-3 were reported and patented compounds [20,21,22]; there is no information about their crystal structure and supramolecular as antiallergic compounds [20,21,22]; there is no information about their crystal structure and study
We report the crystal structure and the supramolecular study of three diphenylene supramolecular study
Summary
Allergic conjunctivitis is a disease characterized by the ocular conjunctiva inflammation. Crystals 2020, 10, x FOR PEER REVIEW as:dioxalamates, three-centered hydrogen bonding, solidand state polymorphism, effect of steric restraints, host–guest phenylene bis-oxalamides, phenylene bis-thiooxalamides, involving studies such complexes, and supramolecular self-assembly. Diphenylene diethyl dioxalamates 1-3 were reported and patented compounds [20,21,22]; there is no information about their crystal structure and supramolecular as antiallergic compounds [20,21,22]; there is no information about their crystal structure and study. We report the crystal structure and the supramolecular study of bis-diethyl dioxalamates (1-3) (Figure 1). The intermolecular contacts present in the crystal three diphenylene bis-diethyl dioxalamates (1-3) (Figure 1).
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