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 :
chemistry, organic (chemistry), crystallography (chemistry), materials science, multidisciplinary (chemistry)
General metadata
Data acquisition date :
2017
Data acquisition methods :
- Experimental data : X-ray diffraction
Organic synthesis
Formats :
chemical/x-cif
Audience :
University: master, Research
Publications :
- Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol (doi:10.1107/S2056989020002091)
Collection :
Publisher :
International Union of Crystallography
Projects and funders :
- Bourse post-doctorale - Abhinav Raghuvanshi
- RECH-MOB15–000017 (Region Franche-Comté)
- Thèse de doctorat en chimie - Lena Knauer
- Fonds der Chemischen Industrie (Another international)
Additional information :
CCDC reference: 1983985
Record created 24 Jun 2021 by Michael Knorr.
Local identifier: FR-18008901306731-2021-06-24.
