Acta Cryst. (2005). E61, o3304-o3306  [ doi:10.1107/S1600536805029181 ]

4-Phenyl-14,18-dithia-4-phosphatricyclo[18.4.0.0^7,12]tetracosa-2,5-dien-4-one benzene hemisolvate

W. Wieczorek, A. Trzesowska and R. Kruszynski

Abstract: The asymmetric unit of the title compound, C₂₇H₂₇OPS₂·0.5C₆H₆, is composed of a heterocyclic molecule and one half-benzene ring, the solvent molecule being located on a centre of inversion. The 16-membered ring has an irregular -ap, -ap, +sp, +ac, -sc, +ap, -ap, -sc, +ap, -ap, +sc, +sp, -ap, +ap, +sp, -ac conformation. The phosphorus tetrahedron exhibits its usual deformation, with C-P-C angles smaller than the usual tetrahedral value of 109.5° and O-P-C angles greater than this value. In the structure, there is a stacking interaction between the P-bonded benzene rings. Furthermore, there is a weak intermolecular C-HO hydrogen bond. In this way, a hydrogen-bonded chain is created along the crystallographic a axis.

Online 17 September 2005

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