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Rubrene endoperoxide acetone monosolvate.


ABSTRACT: The title acetone solvate, C(42)H(28)O(2)·C(3)H(6)O [systematic name: 1,3,10,12-tetra-phenyl-19,20-dioxapenta-cyclo-[10.6.2.0(2,11).0(4,9).0(13,18)]icosa-2(11),3,5,7,9,13,15,17-octa-ene acetone monosolvate], is a photooxygenation product of rubrene (systematic name: 5,6,11,12-tetra-phenyl-tetra-cene). The mol-ecule 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 tetra-cene unit. In the crystal, the rubrene mol-ecules are linked by C-H?O hydrogen bonds into a column along the c axis. The acetone solvent mol-ecules form a dimer around a crystallographic inversion centre through a carbon-yl-carbonyl dipolar inter-action. A C-H?O hydrogen bond between the rubrene and acetone mol-ecules is also observed.

SUBMITTER: Shinashi K 

PROVIDER: S-EPMC3343964 | BioStudies | 2012-01-01T00:00:00Z

REPOSITORIES: biostudies

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