Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol

Acta Crystallogr E Crystallogr Commun. 2020 Mar 3;76(Pt 4):484-487. doi: 10.1107/S2056989020002091. eCollection 2020 Apr 1.

Abstract

The title compound, C22H22O2S2, 1, represents an example of an ortho-vanillin-based functionalized di-thio-ether, which could be useful as a potential chelating ligand or bridging ligand for coordination chemistry. This di-thio-acetal 1 crystallizes in the ortho-rhom-bic space group Pbca. The phenyl rings of the benzyl groups and that of the vanillin unit form dihedral angles of 35.38 (6) and 79.77 (6)°, respectively. The crystal structure, recorded at 100 K, displays both weak intra-molecular O-H⋯O and inter-molecular O-H⋯S hydrogen bonding.

Keywords: crystal structure; di­thio­ether; ortho-vanillin; supra­molecular network; thio­acetal.

Grants and funding

This work was funded by Verband der Chemischen Industrie grant . Franche-Comté grant RECH-MOB15–000017 to A. Raghuvanshi.