Transannular interaction in 4,7-[2.2]paracyclophane quinone

Transannular interaction in 4,7-[2.2]paracyclophane quinone

The molecular and crystal structure of 4,7-[2.2]paracyclophane quinone and its thermal motion have been studied using singlecrystal X-ray diffraction data. Topological analysis of the electron density distribution MP2(FC)/6-31G( d,p) calculation revealed the absence of intramolecular transannular in...

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Veröffentlicht in:Mendeleev communications 2003, Vol.13 (1), p.15-16
Hauptverfasser: Fedyanin, Ivan V., Lyssenko, Konstantin A., Vorontsova, Natalia V., Rozenberg, Valeria I., Antipin, Mikhail Yu
Format: Artikel
Sprache:eng
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Zusammenfassung:The molecular and crystal structure of 4,7-[2.2]paracyclophane quinone and its thermal motion have been studied using singlecrystal X-ray diffraction data. Topological analysis of the electron density distribution MP2(FC)/6-31G( d,p) calculation revealed the absence of intramolecular transannular interactions between two aromatic rings.
ISSN:0959-9436
DOI:10.1070/MC2003v013n01ABEH001693