TY - JOUR
T1 - Crystal structure and supramolecular architecture of antiallergic diphenylene diethyl dioxalamates
AU - González-González, Juan Saulo
AU - Magaña-Vergara, Nancy Evelyn
AU - García-Báez, Efrén Venancio
AU - Padilla-Martínez, Itzia Irene
AU - Mojica-Sánchez, Juan Pablo
AU - Martínez-Martínez, Francisco Javier
N1 - Publisher Copyright:
© 2020 by the authors. Licensee MDPI, Basel, Switzerland.
PY - 2020/11
Y1 - 2020/11
N2 - 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.
AB - 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.
KW - Crystal structure
KW - Diphenylene bis-diethyl dioxalamates
KW - Hirshfeld surface analysis
KW - Hydrogen bond
UR - http://www.scopus.com/inward/record.url?scp=85096515608&partnerID=8YFLogxK
U2 - 10.3390/cryst10111048
DO - 10.3390/cryst10111048
M3 - Artículo
AN - SCOPUS:85096515608
SN - 2073-4352
VL - 10
SP - 1
EP - 13
JO - Crystals
JF - Crystals
IS - 11
M1 - 1048
ER -