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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 |
Sumario: | 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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