Crystal Structure and Supramolecular Architecture of Antiallergic Diphenylene Diethyl Dioxalamates

Crystals

NancyEvelyn Magaña-Vergara¹  FranciscoJavier Martínez-Martínez¹  JuanSaulo González-González²  ItziaIrene Padilla-Martínez³  EfrénVenancio García-Báez³  JuanPablo Mojica-Sánchez⁴ 

[1] Facultad de Ciencias Químicas, Universidad de Colima, km 9 Carretera Colima-Coquimatlán, Coquimatlán, Colima 28400, Mexico;Instituto de Farmacobiología, Universidad de la Cañada, Carretera Teotitlán-San Antonio Nanahuatipan km 1.7 s/n., Teotitlán de Flores Magón, Oaxaca 68540, Mexico;Laboratorio de Química Supramolecular y Nanociencias, Instituto Politécnico Nacional-UPIBI, Av. Acueducto s/n Barrio la Laguna Ticomán, Ciudad de México 07340, Mexico;Tecnológico Nacional de México, Instituto Tecnológico José Mario Molina Pasquel y Henríquez Campus Tamazula de Gordiano, Carretera Tamazula-Santa Rosa No. 329, Tamazula de Gordiano, Jalisco 49650, Mexico;

关键词: diphenylene bis-diethyl dioxalamates;    hydrogen bond;    Hirshfeld surface analysis;    crystal structure;   

DOI  :  10.3390/cryst10111048

来源: DOAJ

【 摘 要 】

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.

【 授权许可】

Unknown