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Rubrene endoperoxide acetone monosolvate

The title acetone solvate, C(42)H(28)O(2)·C(3)H(6)O [systematic name: 1,3,10,12-tetra­phenyl-19,20-dioxapenta­cyclo­[10.6.2.0(2,11).0(4,9).0(13,18)]icosa-2(11),3,5,7,9,13,15,17-octa­ene acetone monosolvate], is a photooxygenation product of rubrene (systematic name: 5,6,11,12-tetra­phenyl­tetra­cene...

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Detalles Bibliográficos
Autores principales: Shinashi, Kiyoaki, Uchida, Akira
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343964/
https://www.ncbi.nlm.nih.gov/pubmed/22590045
http://dx.doi.org/10.1107/S1600536812008835
Descripción
Sumario:The title acetone solvate, C(42)H(28)O(2)·C(3)H(6)O [systematic name: 1,3,10,12-tetra­phenyl-19,20-dioxapenta­cyclo­[10.6.2.0(2,11).0(4,9).0(13,18)]icosa-2(11),3,5,7,9,13,15,17-octa­ene acetone monosolvate], is a photooxygenation product of rubrene (systematic name: 5,6,11,12-tetra­phenyl­tetra­cene). The mol­ecule bends at the bridgehead atoms, which are linked by the O—O transannular bond, with a dihedral angle of 49.21 (6)° between the benzene ring and the naphthalene ring system of the tetra­cene unit. In the crystal, the rubrene mol­ecules are linked by C—H⋯O hydrogen bonds into a column along the c axis. The acetone solvent mol­ecules form a dimer around a crystallographic inversion centre through a carbon­yl–carbonyl dipolar inter­action. A C—H⋯O hydrogen bond between the rubrene and acetone mol­ecules is also observed.