Open Access(η 5 ‐Cyclopentadienyl)(η 6 ‐phenoxathiin 10,10‐dioxide)iron(II) hexafluoridophosphate and phenoxathiin 10,10‐dioxide
Author(s) -
Hendsbee Arthur D.,
Masuda Jason D.,
Piórko Adam
Publication year - 2011
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
eISSN - 1600-5759
pISSN - 0108-2701
DOI - 10.1107/s0108270111042715
Subject(s) - cyclopentadienyl complex , benzene , moiety , chemistry , ring (chemistry) , crystallography , molecule , crystal structure , hinge , stereochemistry , physics , catalysis , organic chemistry , classical mechanics
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)°.