(Phenyl-iodos-yl)benzene tosyl-ate dihydrate

Timothy J Smith; Gerald Koser; Yi Chen; Matthias Zeller; Rocco Iacino; Nichole Selzer

doi:10.1107/S2414314622005223

(Phenyl-iodos-yl)benzene tosyl-ate dihydrate

IUCrdata. 2022 May 20;7(Pt 5):x220522. doi: 10.1107/S2414314622005223. eCollection 2022 May.

Authors

Timothy J Smith¹, Gerald Koser¹, Yi Chen², Matthias Zeller³, Rocco Iacino¹, Nichole Selzer¹

Affiliations

¹ School of Math and Science, Walsh University, 2020 East Maple Street, North Canton, OH 44720, USA.
² Department of Chemistry, University of Akron, 190 E. Buchtel Ave, Akron, OH 44304, USA.
³ Department of Chemistry, Purdue University, 560 Oval Dr., West Lafayette, IN 47907-2084, USA.

Abstract

The structure of the title salt (systematic name: oxodiphenyl-λ⁵-iodanylium 4-methyl-benzene-sulfonate dihydrate), C₁₂H₁₀IO⁺·C₇H₇O₃S^-·2H₂O, at 150 K, has monoclinic (P2₁/c) symmetry. The mol-ecular structure features an angular (phenyl-iodos-yl)benzene cation, the geometry of which was hitherto undescribed in the literature: in the cation, both I-C bonds are approximately normal to the I=O bond, forming a C-I-C angle of 95.36 (4)°. The crystal structure displays O-H⋯O, O-H⋯I and O-H⋯S hydrogen bonding.

Keywords: crystal structure; diaryliodosyl salt; sulfide oxidation; λ5-iodinane.

Grants and funding

Funding for this research was provided by: Walsh University (grant No. 2019 Faculty Scholars to TJ Smith).