Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol (2020)

Data creators : Abhinav Raghuvanshi [1] [2], Lena Knauer [3], Lydie Viau [1] [2], Michael Knorr [1] [2], Carsten Strohmann [3]
Data collector : Stéphanie Boullanger [1] [2]
[1] : Institut UTINAM (UMR 6213) (Université de Franche-Comté)
[2] : Observatoire des Sciences de l'Univers - Terre, Homme, Environnement, Temps, Astronomie (UAR 3245) (Université de Franche-Comté)
[3] : Technische Universität Dortmund
Description :
The title compound, C22H22O2S2, 1, represents an example of an ortho-vanillin-based functionalized di­thio­ether, which could be useful as a potential chelating ligand or bridging ligand for coordination chemistry. This di­thio­acetal 1 crystallizes in the ortho­rhom­bic 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 intra­molecular O—H...O and inter­molecular O—H...S hydrogen bonding.
Disciplines :

General metadata

Data acquisition date : 2017
Data acquisition methods :
Update periodicity : no update
Language : English (eng)
Formats : chemical/x-cif
Audience : University: master, Research
Publications :
Projects and funders :
Additional information :
CCDC reference: 1983985
Record created 24 Jun 2021 by Michael Knorr.
Local identifier: FR-18008901306731-2021-06-24.


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Université de Bourgogne, Université de Franche-Comté, UTBM, AgroSup Dijon, ENSMM, BSB, Arts des Metiers