Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Tiritiris, Ioannis, Kantlehner, Willi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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
_version_ 1782411014639190016
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
work_keys_str_mv AT tiritirisioannis crystalstructureofn3dimethylaminopropylnnnntetramethylnnnnntetramethylformamidiniumylguanidiniumbistetraphenylborate
AT kantlehnerwilli crystalstructureofn3dimethylaminopropylnnnntetramethylnnnnntetramethylformamidiniumylguanidiniumbistetraphenylborate