Dataset on synthesis and crystallographic structure of phenyl(TMP)iodonium(III) acetate

Hideyasu China; Daichi Koseki; Kazuki Samura; Kotaro Kikushima; Yasuko In; Toshifumi Dohi

doi:10.1016/j.dib.2019.104063

Dataset on synthesis and crystallographic structure of phenyl(TMP)iodonium(III) acetate

Data Brief. 2019 May 25:25:104063. doi: 10.1016/j.dib.2019.104063. eCollection 2019 Aug.

Authors

Hideyasu China¹, Daichi Koseki¹, Kazuki Samura¹, Kotaro Kikushima¹, Yasuko In², Toshifumi Dohi¹

Affiliations

¹ College of Pharmaceutical Science, Ritsumeikan University, 1-1-1 Nojihigashi, Kusatu, Shiga, 525-8577, Japan.
² Osaka University of Pharmaceutical Science, 4-20-1 Nasahara, Takatsuki, Osaka, 569-1094, Japan.

Abstract

The data in this article are related to research article ''Efficient N-arylation of azole compounds utilizing selective aryl-transfer TMP-iodonium (III) reagents (Koseki et al., 2019). For the title compound, phenyl(2,4,6-trimethoxyphenyl)iodonium(III) acetate (Ph(TMP)IOAc), the single-crystal X-ray diffraction measurement together with NMR analysis, like also the method of synthesis and crystallization are presented. The X-ray structure analysis has revealed that the two types of geometries regarding the acetate anion attached to phenyl (TMP)iodonium (III) cation are found in the crystal states.

Keywords: Acetate ligand; Hypervalent iodine compound; Iodonium(III) salt; Two geometrical states.