Crystal structure of N-[3-(di­methyl­amino)­prop­yl]-N′,N′,N′′,N′′-tetra­methyl-N-(N,N,N′,N′-tetra­methyl­form­amid­in­ium­yl)guanidinium bis­(tetra­phenyl­borate)

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, C15H36N6 2+·2C24H20B−, the three N—C bond lengths in the central C3N 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...

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Main Authors: Tiritiris, Ioannis, Kantlehner, Willi
Format: Online
Language:English
Published: International Union of Crystallography 2015
Online Access:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719971/
id pubmed-4719971
recordtype oai_dc
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 Data Reports In the title salt, C15H36N6 2+·2C24H20B−, the three N—C bond lengths in the central C3N 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.
repository_type Open Access Journal
institution_category Foreign Institution
institution US National Center for Biotechnology Information
building NCBI PubMed
collection Online Access
language English
format Online
author Tiritiris, Ioannis
Kantlehner, Willi
spellingShingle 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)
author_facet Tiritiris, Ioannis
Kantlehner, Willi
author_sort Tiritiris, Ioannis
title 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_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_sort crystal structure of n-[3-(di­methyl­amino)­prop­yl]-n′,n′,n′′,n′′-tetra­methyl-n-(n,n,n′,n′-tetra­methyl­form­amid­in­ium­yl)guanidinium bis­(tetra­phenyl­borate)
description In the title salt, C15H36N6 2+·2C24H20B−, the three N—C bond lengths in the central C3N 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.
publisher International Union of Crystallography
publishDate 2015
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719971/
_version_ 1613526257587191808

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