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Crystal structure of N-[3-(dimethylamino)propyl]-N′,N′,N′′,N′′-tetramethyl-N-(N,N,N′,N′-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate)
In the title salt, C(15)H(36)N(6) (2+)·2C(24)H(20)B(−), the three N—C bond lengths in the central C(3)N unit of the bisamidinium ion range between 1.388 (3) and 1.506 (3) Å, indicating single- and double-bond character. Furthermore, four C—N bonds have double-bond character. Here, the bond lengths...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719971/ https://www.ncbi.nlm.nih.gov/pubmed/26870490 http://dx.doi.org/10.1107/S2056989015023336 |
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author | Tiritiris, Ioannis Kantlehner, Willi |
author_facet | Tiritiris, Ioannis Kantlehner, Willi |
author_sort | Tiritiris, Ioannis |
collection | PubMed |
description | In the title salt, C(15)H(36)N(6) (2+)·2C(24)H(20)B(−), the three N—C bond lengths in the central C(3)N unit of the bisamidinium ion range between 1.388 (3) and 1.506 (3) Å, indicating single- and double-bond character. Furthermore, four C—N bonds have double-bond character. Here, the bond lengths range from 1.319 (3) to 1.333 (3) Å. Delocalization of the positive charges occurs in the N/C/N and C/N/C planes. The dihedral angle between both N/C/N planes is 70.5 (2)°. In the crystal, C—H⋯π interactions between H atoms of the cation and the benzene rings of both tetraphenylborate ions are present. The benzene rings form aromatic pockets, in which the bisamidinium ion is embedded. This leads to the formation of a two-dimensional supramolecular pattern along the ab plane. |
format | Online Article Text |
id | pubmed-4719971 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47199712016-02-11 Crystal structure of N-[3-(dimethylamino)propyl]-N′,N′,N′′,N′′-tetramethyl-N-(N,N,N′,N′-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate) Tiritiris, Ioannis Kantlehner, Willi Acta Crystallogr E Crystallogr Commun Data Reports In the title salt, C(15)H(36)N(6) (2+)·2C(24)H(20)B(−), the three N—C bond lengths in the central C(3)N unit of the bisamidinium ion range between 1.388 (3) and 1.506 (3) Å, indicating single- and double-bond character. Furthermore, four C—N bonds have double-bond character. Here, the bond lengths range from 1.319 (3) to 1.333 (3) Å. Delocalization of the positive charges occurs in the N/C/N and C/N/C planes. The dihedral angle between both N/C/N planes is 70.5 (2)°. In the crystal, C—H⋯π interactions between H atoms of the cation and the benzene rings of both tetraphenylborate ions are present. The benzene rings form aromatic pockets, in which the bisamidinium ion is embedded. This leads to the formation of a two-dimensional supramolecular pattern along the ab plane. International Union of Crystallography 2015-12-12 /pmc/articles/PMC4719971/ /pubmed/26870490 http://dx.doi.org/10.1107/S2056989015023336 Text en © Tiritiris and Kantlehner 2015 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 | Data Reports Tiritiris, Ioannis Kantlehner, Willi Crystal structure of N-[3-(dimethylamino)propyl]-N′,N′,N′′,N′′-tetramethyl-N-(N,N,N′,N′-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate) |
title | Crystal structure of N-[3-(dimethylamino)propyl]-N′,N′,N′′,N′′-tetramethyl-N-(N,N,N′,N′-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate) |
title_full | Crystal structure of N-[3-(dimethylamino)propyl]-N′,N′,N′′,N′′-tetramethyl-N-(N,N,N′,N′-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate) |
title_fullStr | Crystal structure of N-[3-(dimethylamino)propyl]-N′,N′,N′′,N′′-tetramethyl-N-(N,N,N′,N′-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate) |
title_full_unstemmed | Crystal structure of N-[3-(dimethylamino)propyl]-N′,N′,N′′,N′′-tetramethyl-N-(N,N,N′,N′-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate) |
title_short | Crystal structure of N-[3-(dimethylamino)propyl]-N′,N′,N′′,N′′-tetramethyl-N-(N,N,N′,N′-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate) |
title_sort | crystal structure of n-[3-(dimethylamino)propyl]-n′,n′,n′′,n′′-tetramethyl-n-(n,n,n′,n′-tetramethylformamidiniumyl)guanidinium bis(tetraphenylborate) |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719971/ https://www.ncbi.nlm.nih.gov/pubmed/26870490 http://dx.doi.org/10.1107/S2056989015023336 |
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