Rubrene endoperoxide acetone monosolvate
Authors:
Open Access
- 10 March 2012
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta Crystallographica Section E Crystallographic Communications
- Vol. 68 (4) , o995-o996
Abstract
The title acetone solvate, C42H28O2·C3H6O [systematic name: 1,3,10,12-tetraphenyl-19,20-dioxapentacyclo[10.6.2.02,11.04,9.013,18]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 thecaxis. 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.Keywords
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