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

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Quotation

Abhinav Raghuvanshi ; Lena Knauer ; Lydie Viau ; Michael Knorr ; Carsten Strohmann (2020): Crystal structure of 2-[bis(benzylsulfanyl)methyl]-6-methoxyphenol. International Union of Crystallography. doi:10.25666/DATAOSU-2021-06-24

General metadata

Identifier : local : FR-18008901306731-2021-06-24 external : doi:10.25666/DATAOSU-2021-06-24, doi:10.1107/S2056989020002091
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 :
Keywords :

Dates :
Data acquisition : 2017
Data provision : 1 Apr 2020
Metadata record :
Creation : 24 Jun 2021

Update periodicity : no update
Language : English (eng)
Additional information :
CCDC reference: 1983985
Audience : University: master, Research

Administrative metadata

Data creatorsAffiliation
Abhinav RaghuvanshiUTINAM (FRA)
Lena KnauerTU Dortmund (DEU)
Lydie ViauUTINAM (FRA)
Michael KnorrUTINAM (FRA)
Carsten StrohmannTU Dortmund (DEU)
ContributorAffiliationRole
Stéphanie BoullangerUTINAM (FRA)data collector
Publisher : International Union of Crystallography
Science contact : Michael Knorr website e-mail
Projects and funders :
Access : available

Technical metadata

Formats : chemical/x-cif
Data acquisition methods :
Datatype : Dataset

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