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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4719992 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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