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N,N,N′,N′,N′′-Penta­methyl-N′′-[3-(1,3,3-trimethyl­ureido)prop­yl]guanidinium tetra­phenyl­borate

In the crystal structure of the title molecular salt, C(13)H(30)N(5)O(+)·C(24)H(20)B(−), discrete guanidinium cations and tetra­phenyl­borate anions are present. The C—N bond lengths in the CN(3) unit are 1.3427 (12), 1.3445 (12) and 1.3453 (13) Å, indicating double-bond character. The central C ato...

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Detalles Bibliográficos
Autores principales: Tiritiris, Ioannis, Kantlehner, Willi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394016/
https://www.ncbi.nlm.nih.gov/pubmed/22798881
http://dx.doi.org/10.1107/S1600536812027067
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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 molecular salt, C(13)H(30)N(5)O(+)·C(24)H(20)B(−), discrete guanidinium cations and tetra­phenyl­borate anions are present. The C—N bond lengths in the CN(3) unit are 1.3427 (12), 1.3445 (12) and 1.3453 (13) Å, indicating double-bond character. The central C atom is surrounded in a nearly ideal trigonal-planar geometry by three N atoms and the positive charge is delocalized on the CN(3) plane. The bonds between the N atoms and the terminal C-methyl groups all have values close to a typical single bond [1.4595 (15)–1.4688 (12) Å]. In the crystal, cations are connected by C—H⋯O contacts generating a chain along the c axis.
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spelling pubmed-33940162012-07-13 N,N,N′,N′,N′′-Penta­methyl-N′′-[3-(1,3,3-trimethyl­ureido)prop­yl]guanidinium tetra­phenyl­borate Tiritiris, Ioannis Kantlehner, Willi Acta Crystallogr Sect E Struct Rep Online Organic Papers In the crystal structure of the title molecular salt, C(13)H(30)N(5)O(+)·C(24)H(20)B(−), discrete guanidinium cations and tetra­phenyl­borate anions are present. The C—N bond lengths in the CN(3) unit are 1.3427 (12), 1.3445 (12) and 1.3453 (13) Å, indicating double-bond character. The central C atom is surrounded in a nearly ideal trigonal-planar geometry by three N atoms and the positive charge is delocalized on the CN(3) plane. The bonds between the N atoms and the terminal C-methyl groups all have values close to a typical single bond [1.4595 (15)–1.4688 (12) Å]. In the crystal, cations are connected by C—H⋯O contacts generating a chain along the c axis. International Union of Crystallography 2012-06-27 /pmc/articles/PMC3394016/ /pubmed/22798881 http://dx.doi.org/10.1107/S1600536812027067 Text en © Tiritiris and Kantlehner 2012 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 Organic Papers
Tiritiris, Ioannis
Kantlehner, Willi
N,N,N′,N′,N′′-Penta­methyl-N′′-[3-(1,3,3-trimethyl­ureido)prop­yl]guanidinium tetra­phenyl­borate
title N,N,N′,N′,N′′-Penta­methyl-N′′-[3-(1,3,3-trimethyl­ureido)prop­yl]guanidinium tetra­phenyl­borate
title_full N,N,N′,N′,N′′-Penta­methyl-N′′-[3-(1,3,3-trimethyl­ureido)prop­yl]guanidinium tetra­phenyl­borate
title_fullStr N,N,N′,N′,N′′-Penta­methyl-N′′-[3-(1,3,3-trimethyl­ureido)prop­yl]guanidinium tetra­phenyl­borate
title_full_unstemmed N,N,N′,N′,N′′-Penta­methyl-N′′-[3-(1,3,3-trimethyl­ureido)prop­yl]guanidinium tetra­phenyl­borate
title_short N,N,N′,N′,N′′-Penta­methyl-N′′-[3-(1,3,3-trimethyl­ureido)prop­yl]guanidinium tetra­phenyl­borate
title_sort n,n,n′,n′,n′′-penta­methyl-n′′-[3-(1,3,3-trimethyl­ureido)prop­yl]guanidinium tetra­phenyl­borate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3394016/
https://www.ncbi.nlm.nih.gov/pubmed/22798881
http://dx.doi.org/10.1107/S1600536812027067
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