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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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 |
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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 |