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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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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. |
format | Online Article Text |
id | pubmed-3394016 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT tiritirisioannis nnnnnpentamethyln3133trimethylureidopropylguanidiniumtetraphenylborate AT kantlehnerwilli nnnnnpentamethyln3133trimethylureidopropylguanidiniumtetraphenylborate |