(η5-Cyclopentadienyl)(η6-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide

Arthur D Hendsbee; Jason D Masuda; Adam Piórko

doi:10.1107/S0108270111042715

(η5-Cyclopentadienyl)(η6-phenoxathiin 10,10-dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10-dioxide

Acta Crystallogr C. 2011 Nov;67(Pt 11):m351-4. doi: 10.1107/S0108270111042715. Epub 2011 Oct 26.

Authors

Arthur D Hendsbee¹, Jason D Masuda, Adam Piórko

Affiliation

¹ Department of Chemistry, Saint Mary's University, Halifax, Nova Scotia, Canada B3H 3C3.

PMID: 22051951
DOI: 10.1107/S0108270111042715

Abstract

In the structure of the title complex salt, [Fe(C(5)H(5))(C(12)H(8)O(3)S)]PF(6), the coordinated cyclopentadienyl (Cp) and benzene ring planes are almost parallel, with a hinge angle between the planes of 0.8 (2)°. The hinge angle between the planes of the peripheral (coordinated and uncoordinated) benzene rings in the coordinated phenoxathiin 10,10-dioxide molecule is 169.9 (2)°, and the FeCp moiety is located inside the shallow fold of the heterocycle. The hinge angle between the benzene ring planes in the free heterocycle, C(12)H(8)O(3)S, is 171.49 (6)°.