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Crystal structure of N′′-benzyl-N′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-N,N,N′,N′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate)

In the crystal structure of the title salt, C(24)H(38)N(4) (2+)·2C(24)H(20)B(−), the C—N bond lengths in the central CN(3) unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a near...

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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/PMC4719992/
https://www.ncbi.nlm.nih.gov/pubmed/26870511
http://dx.doi.org/10.1107/S2056989015024639
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author Tiritiris, Ioannis
Kantlehner, Willi
author_facet Tiritiris, Ioannis
Kantlehner, Willi
author_sort Tiritiris, Ioannis
collection PubMed
description In the crystal structure of the title salt, C(24)H(38)N(4) (2+)·2C(24)H(20)B(−), the C—N bond lengths in the central CN(3) unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN(3) plane. The bonds between the N atoms and the terminal methyl groups of the guanidinium moiety and the four C—N bonds to the central N atom of the (benzyl­dimethyl­aza­nium­yl)propyl group have single-bond character. In the crystal, C—H⋯π inter­actions between the guanidin­ium H atoms and the phenyl C atoms of the tetra­phenyl­borate ions are present, leading to the formation of a two-dimensional supra­molecular pattern parallel to the ac plane.
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spelling pubmed-47199922016-02-11 Crystal structure of N′′-benzyl-N′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-N,N,N′,N′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate) Tiritiris, Ioannis Kantlehner, Willi Acta Crystallogr E Crystallogr Commun Data Reports In the crystal structure of the title salt, C(24)H(38)N(4) (2+)·2C(24)H(20)B(−), the C—N bond lengths in the central CN(3) unit of the guanidinium ion are 1.3364 (13), 1.3407 (13) and 1.3539 (13) Å, indicating partial double-bond character. The central C atom is bonded to the three N atoms in a nearly ideal trigonal–planar geometry and the positive charge is delocalized in the CN(3) plane. The bonds between the N atoms and the terminal methyl groups of the guanidinium moiety and the four C—N bonds to the central N atom of the (benzyl­dimethyl­aza­nium­yl)propyl group have single-bond character. In the crystal, C—H⋯π inter­actions between the guanidin­ium H atoms and the phenyl C atoms of the tetra­phenyl­borate ions are present, leading to the formation of a two-dimensional supra­molecular pattern parallel to the ac plane. International Union of Crystallography 2015-12-31 /pmc/articles/PMC4719992/ /pubmed/26870511 http://dx.doi.org/10.1107/S2056989015024639 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′′-benzyl-N′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-N,N,N′,N′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate)
title Crystal structure of N′′-benzyl-N′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-N,N,N′,N′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate)
title_full Crystal structure of N′′-benzyl-N′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-N,N,N′,N′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate)
title_fullStr Crystal structure of N′′-benzyl-N′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-N,N,N′,N′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate)
title_full_unstemmed Crystal structure of N′′-benzyl-N′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-N,N,N′,N′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate)
title_short Crystal structure of N′′-benzyl-N′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-N,N,N′,N′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate)
title_sort crystal structure of n′′-benzyl-n′′-[3-(benzyl­dimethyl­aza­nium­yl)prop­yl]-n,n,n′,n′-tetra­methyl­guanidinium bis­(tetra­phenyl­borate)
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719992/
https://www.ncbi.nlm.nih.gov/pubmed/26870511
http://dx.doi.org/10.1107/S2056989015024639
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