Cargando…

Crystal structure of 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene

The crystal structure of the well-studied 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene mol­ecule, C(20)H(12)S(4), (I), also known as exTTF, is reported. The mol­ecular structure of (I) consists of a di­hydro­anthracene moiety with two 1,3-di­thiol-2-yl­idene substituents. This is a sa...

Descripción completa

Detalles Bibliográficos
Autores principales: Ren, Yi, Lee, Semin, Bertke, Jeffery A., Moore, Jeffrey S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719817/
https://www.ncbi.nlm.nih.gov/pubmed/26870408
http://dx.doi.org/10.1107/S2056989015020800
_version_ 1782410979882041344
author Ren, Yi
Lee, Semin
Bertke, Jeffery A.
Moore, Jeffrey S.
author_facet Ren, Yi
Lee, Semin
Bertke, Jeffery A.
Moore, Jeffrey S.
author_sort Ren, Yi
collection PubMed
description The crystal structure of the well-studied 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene mol­ecule, C(20)H(12)S(4), (I), also known as exTTF, is reported. The mol­ecular structure of (I) consists of a di­hydro­anthracene moiety with two 1,3-di­thiol-2-yl­idene substituents. This is a saddle-shaped mol­ecule, which inter­acts with a close neighbor through various π–π and C—H⋯π contacts to form a ‘dimer’. These ‘dimers’ inter­act through a series of C—H⋯S and C—H⋯π contacts to construct a complex three-dimensional extended structure.
format Online
Article
Text
id pubmed-4719817
institution National Center for Biotechnology Information
language English
publishDate 2015
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-47198172016-02-11 Crystal structure of 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene Ren, Yi Lee, Semin Bertke, Jeffery A. Moore, Jeffrey S. Acta Crystallogr E Crystallogr Commun Research Communications The crystal structure of the well-studied 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene mol­ecule, C(20)H(12)S(4), (I), also known as exTTF, is reported. The mol­ecular structure of (I) consists of a di­hydro­anthracene moiety with two 1,3-di­thiol-2-yl­idene substituents. This is a saddle-shaped mol­ecule, which inter­acts with a close neighbor through various π–π and C—H⋯π contacts to form a ‘dimer’. These ‘dimers’ inter­act through a series of C—H⋯S and C—H⋯π contacts to construct a complex three-dimensional extended structure. International Union of Crystallography 2015-11-07 /pmc/articles/PMC4719817/ /pubmed/26870408 http://dx.doi.org/10.1107/S2056989015020800 Text en © Ren et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Ren, Yi
Lee, Semin
Bertke, Jeffery A.
Moore, Jeffrey S.
Crystal structure of 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene
title Crystal structure of 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene
title_full Crystal structure of 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene
title_fullStr Crystal structure of 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene
title_full_unstemmed Crystal structure of 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene
title_short Crystal structure of 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene
title_sort crystal structure of 9,10-bis­(1,3-di­thiol-2-yl­idene)-9,10-di­hydro­anthracene
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719817/
https://www.ncbi.nlm.nih.gov/pubmed/26870408
http://dx.doi.org/10.1107/S2056989015020800
work_keys_str_mv AT renyi crystalstructureof910bis13dithiol2ylidene910dihydroanthracene
AT leesemin crystalstructureof910bis13dithiol2ylidene910dihydroanthracene
AT bertkejefferya crystalstructureof910bis13dithiol2ylidene910dihydroanthracene
AT moorejeffreys crystalstructureof910bis13dithiol2ylidene910dihydroanthracene