Cargando…

9-(Dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1)

The title compound, C(16)H(8)N(2)·C(6)H(4)S(4), crystallizes with the fluorene derivative placed in a general position and two half tetra­thia­fulvalene (TTF) mol­ecules, each completed to a whole mol­ecule through an inversion center. The fluorene ring system is virtually planar (r.m.s. deviation f...

Descripción completa

Detalles Bibliográficos
Autores principales: Salmerón-Valverde, Amparo, Bernès, Sylvain
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343914/
https://www.ncbi.nlm.nih.gov/pubmed/22589995
http://dx.doi.org/10.1107/S1600536812008124
_version_ 1782231873216315392
author Salmerón-Valverde, Amparo
Bernès, Sylvain
author_facet Salmerón-Valverde, Amparo
Bernès, Sylvain
author_sort Salmerón-Valverde, Amparo
collection PubMed
description The title compound, C(16)H(8)N(2)·C(6)H(4)S(4), crystallizes with the fluorene derivative placed in a general position and two half tetra­thia­fulvalene (TTF) mol­ecules, each completed to a whole mol­ecule through an inversion center. The fluorene ring system is virtually planar (r.m.s. deviation from the mean plane = 0.027 Å) and the dicyano group is twisted from the fluorene plane by only 3.85 (12)°. The TTF mol­ecules are also planar, and their central C=C bond lengths [1.351 (8) and 1.324 (7) Å] compare well with the same bond length in neutral TTF (ca 1.35 Å). These features indicate that no charge transfer occurs between mol­ecules in the crystal; the compound should thus be considered a cocrystal rather than an organic complex. This is confirmed by the crystal structure, in which no significant stacking inter­actions are observed between mol­ecules.
format Online
Article
Text
id pubmed-3343914
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33439142012-05-15 9-(Dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1) Salmerón-Valverde, Amparo Bernès, Sylvain Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(16)H(8)N(2)·C(6)H(4)S(4), crystallizes with the fluorene derivative placed in a general position and two half tetra­thia­fulvalene (TTF) mol­ecules, each completed to a whole mol­ecule through an inversion center. The fluorene ring system is virtually planar (r.m.s. deviation from the mean plane = 0.027 Å) and the dicyano group is twisted from the fluorene plane by only 3.85 (12)°. The TTF mol­ecules are also planar, and their central C=C bond lengths [1.351 (8) and 1.324 (7) Å] compare well with the same bond length in neutral TTF (ca 1.35 Å). These features indicate that no charge transfer occurs between mol­ecules in the crystal; the compound should thus be considered a cocrystal rather than an organic complex. This is confirmed by the crystal structure, in which no significant stacking inter­actions are observed between mol­ecules. International Union of Crystallography 2012-03-03 /pmc/articles/PMC3343914/ /pubmed/22589995 http://dx.doi.org/10.1107/S1600536812008124 Text en © Salmerón-Valverde and Bernès 2012 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 Organic Papers
Salmerón-Valverde, Amparo
Bernès, Sylvain
9-(Dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1)
title 9-(Dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1)
title_full 9-(Dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1)
title_fullStr 9-(Dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1)
title_full_unstemmed 9-(Dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1)
title_short 9-(Dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1)
title_sort 9-(dicyano­methyl­idene)fluorene–tetra­thia­fulvalene (1/1)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343914/
https://www.ncbi.nlm.nih.gov/pubmed/22589995
http://dx.doi.org/10.1107/S1600536812008124
work_keys_str_mv AT salmeronvalverdeamparo 9dicyanomethylidenefluorenetetrathiafulvalene11
AT bernessylvain 9dicyanomethylidenefluorenetetrathiafulvalene11