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Crystal structure of tetra­methyl­ammonium 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide

The title compound, C(4)H(12)N(+)·C(11)H(5)N(4) (−), contains one tetra­methyl­ammonium cation and one 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide anion in the asymmetric unit. The anion is in an all-trans conjugated C=C bonds conformation. Two terminal C(CN)(2) di­nitrile moieties are slightly twisted...

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Autores principales: Bogdanov, Georgii, Tillotson, John P, Bustos, Jenna, Fonari, Marina, Timofeeva, Tatiana V.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727047/
https://www.ncbi.nlm.nih.gov/pubmed/31523463
http://dx.doi.org/10.1107/S2056989019011411
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author Bogdanov, Georgii
Tillotson, John P
Bustos, Jenna
Fonari, Marina
Timofeeva, Tatiana V.
author_facet Bogdanov, Georgii
Tillotson, John P
Bustos, Jenna
Fonari, Marina
Timofeeva, Tatiana V.
author_sort Bogdanov, Georgii
collection PubMed
description The title compound, C(4)H(12)N(+)·C(11)H(5)N(4) (−), contains one tetra­methyl­ammonium cation and one 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide anion in the asymmetric unit. The anion is in an all-trans conjugated C=C bonds conformation. Two terminal C(CN)(2) di­nitrile moieties are slightly twisted from the polymethine main chain to which they are attached [C(CN)(2)/C(5) dihedral angles = 6.1 (2) and 7.1 (1)°]. The C—C bond distances along the hepta­dienyl chain vary in the narrow range 1.382 (2)–1.394 (2) Å, thus indicating the significant degree of conjugation. In the crystal, the anions are linked into zigzag chains along the [10[Image: see text]] direction by C—H⋯N(nitrile) short contacts. The anti­parallel chains stack along the [110] direction with alternating separations between the neighboring anions in stacks of 3.291 and 3.504 Å. The C—H⋯N short contacts and stacking inter­actions combine to link the anions into layers parallel to the ([Image: see text]01) plane and separated by columns of tetra­methyl­ammonium cations.
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spelling pubmed-67270472019-09-13 Crystal structure of tetra­methyl­ammonium 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide Bogdanov, Georgii Tillotson, John P Bustos, Jenna Fonari, Marina Timofeeva, Tatiana V. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, C(4)H(12)N(+)·C(11)H(5)N(4) (−), contains one tetra­methyl­ammonium cation and one 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide anion in the asymmetric unit. The anion is in an all-trans conjugated C=C bonds conformation. Two terminal C(CN)(2) di­nitrile moieties are slightly twisted from the polymethine main chain to which they are attached [C(CN)(2)/C(5) dihedral angles = 6.1 (2) and 7.1 (1)°]. The C—C bond distances along the hepta­dienyl chain vary in the narrow range 1.382 (2)–1.394 (2) Å, thus indicating the significant degree of conjugation. In the crystal, the anions are linked into zigzag chains along the [10[Image: see text]] direction by C—H⋯N(nitrile) short contacts. The anti­parallel chains stack along the [110] direction with alternating separations between the neighboring anions in stacks of 3.291 and 3.504 Å. The C—H⋯N short contacts and stacking inter­actions combine to link the anions into layers parallel to the ([Image: see text]01) plane and separated by columns of tetra­methyl­ammonium cations. International Union of Crystallography 2019-08-23 /pmc/articles/PMC6727047/ /pubmed/31523463 http://dx.doi.org/10.1107/S2056989019011411 Text en © Bogdanov et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Bogdanov, Georgii
Tillotson, John P
Bustos, Jenna
Fonari, Marina
Timofeeva, Tatiana V.
Crystal structure of tetra­methyl­ammonium 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide
title Crystal structure of tetra­methyl­ammonium 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide
title_full Crystal structure of tetra­methyl­ammonium 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide
title_fullStr Crystal structure of tetra­methyl­ammonium 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide
title_full_unstemmed Crystal structure of tetra­methyl­ammonium 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide
title_short Crystal structure of tetra­methyl­ammonium 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide
title_sort crystal structure of tetra­methyl­ammonium 1,1,7,7-tetra­cyano­hepta-2,4,6-trienide
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6727047/
https://www.ncbi.nlm.nih.gov/pubmed/31523463
http://dx.doi.org/10.1107/S2056989019011411
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