25,27-(3,6,9-Trioxaundecane-1,11-di­oxy)-26,28-{3-[4-(tricyanoethylene)phenyl]-3-azapentane-1,5-dioxy}calix[4]arene di­chloro­methane monosolvate

IUCrData(2019)

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摘要
The title compound, C51H48N2O7, was synthesized by the reaction of 25,27-(3,6,9-trioxaundecane-1,11-di­oxy)-26,28-(3-phen­yl)-3-aza­pentane-1,5-di­oxy)calix[4]arene with tetra­cyano­ethyl­ene in dry DMF. The compound has a 1,3-alternate conformation with an oxo-crown-5 unit and an aza-crown-3 unit with a nitro­gen atom connecting tri­cyano­ethyl­enephenyl group as a chromophore. Pairs of benzene rings of the calixarene are facing one another. Three of the four oxygen atoms connected to a benzene have endo-conformations while the other is exo. The oxo-crown-5 system has a t–g–g–t conformation. The di­chloro­methane solvent mol­ecule is linked to the main mol­ecule by a C—H⋯Cl hydrogen bond. In the crystal, C—H⋯O, C—H⋯Cl hydrogen bonds and C—H⋯π(ring) inter­actions are observed.
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关键词
crystal structure,calix[4]arene,crown ether,1,3-alternate conformation,hydrogen bonds,C—H...π(ring) interactions
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