Smith Timothy J, Koser Gerald, Chen Yi, Zeller Matthias, Iacino Rocco, Selzer Nichole
School of Math and Science, Walsh University, 2020 East Maple Street, North Canton, OH 44720, USA.
Department of Chemistry, University of Akron, 190 E. Buchtel Ave, Akron, OH 44304, USA.
IUCrdata. 2022 May 20;7(Pt 5):x220522. doi: 10.1107/S2414314622005223. eCollection 2022 May.
The structure of the title salt (systematic name: oxodiphenyl-λ-iodanylium 4-methyl-benzene-sulfonate dihydrate), CHIO·CHOS·2HO, at 150 K, has monoclinic (2/) 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.
标题盐（系统命名：二水合氧化二苯基-λ-碘鎓 4-甲基苯磺酸盐），CHIO·CHOS·2HO，在 150 K 时具有单斜（2/）对称性。分子结构的特征是一个角形的（苯基碘酰基）苯阳离子，其几何结构在文献中迄今未被描述：在阳离子中，两个 I-C 键均大致垂直于 I=O 键，形成的 C-I-C 角为 95.36 (4)°。晶体结构显示出 O-H⋯O、O-H⋯I 和 O-H⋯S 氢键。
