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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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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. |
format | Online Article Text |
id | pubmed-6727047 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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