In:
Acta Crystallographica Section E Structure Reports Online, International Union of Crystallography (IUCr), Vol. 68, No. 4 ( 2012-04-01), p. o995-o996
Abstract:
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.
Type of Medium:
Online Resource
ISSN:
1600-5368
DOI:
10.1107/S1600536812008835
DOI:
10.1107/S1600536812008835/is5077sup1.cif
DOI:
10.1107/S1600536812008835/is5077sup0.html
DOI:
10.1107/S1600536812008835/is5077Isup2.hkl
DOI:
10.1107/S1600536812008835/is5077Isup3.mol
DOI:
10.1107/S1600536812008835/is5077Isup4.cml
Language:
Unknown
Publisher:
International Union of Crystallography (IUCr)
Publication Date:
2012
detail.hit.zdb_id:
2843762-7
detail.hit.zdb_id:
2041947-8
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