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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
- Source :
- IUCrData, Vol 4, Iss 1, p x190026 (2019)
- Publication Year :
- 2019
- Publisher :
- International Union of Crystallography (IUCr), 2019.
-
Abstract
- 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.
- Subjects :
- chemistry.chemical_classification
crystal structure
Hydrogen bond
C—H...π(ring) interactions
General Medicine
Crystal structure
Chromophore
Ring (chemistry)
calix[4]arene
Medicinal chemistry
1,3-alternate conformation
Solvent
chemistry.chemical_compound
chemistry
crown ether
hydrogen bonds
Calixarene
lcsh:QD901-999
lcsh:Crystallography
Benzene
Crown ether
Subjects
Details
- ISSN :
- 24143146
- Volume :
- 4
- Database :
- OpenAIRE
- Journal :
- IUCrData
- Accession number :
- edsair.doi.dedup.....84edeccfa0d5ef8048acaa7a9c40ac34
- Full Text :
- https://doi.org/10.1107/s2414314619000269