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Crystal structure of N′′-(2-ethoxy-2-oxoethyl)-N,N,N′,N′-tetramethyl-N′′-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate
In the title salt, C(16)H(34)N(5)O(3) (+)·C(24)H(20)B(−), the C—N bond lengths in the cation are 1.3368 (16), 1.3375 (18) and 1.3594 (17) 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...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719960/ https://www.ncbi.nlm.nih.gov/pubmed/26870479 http://dx.doi.org/10.1107/S2056989015023142 |
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author | Tiritiris, Ioannis Kantlehner, Willi |
author_facet | Tiritiris, Ioannis Kantlehner, Willi |
author_sort | Tiritiris, Ioannis |
collection | PubMed |
description | In the title salt, C(16)H(34)N(5)O(3) (+)·C(24)H(20)B(−), the C—N bond lengths in the cation are 1.3368 (16), 1.3375 (18) and 1.3594 (17) 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. In the crystal, weak C—H⋯O contacts are observed between neighbouring guanidinium ions and between guanidinium ions and tetraphenylborate anions. In addition, C—H⋯π interactions involving guanidinium H atoms and aromatic rings of the anion are present. The phenyl rings form aromatic pockets, in which the cations are embedded. This leads to the formation of a two-dimensional supramolecular pattern along the ab plane. |
format | Online Article Text |
id | pubmed-4719960 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47199602016-02-11 Crystal structure of N′′-(2-ethoxy-2-oxoethyl)-N,N,N′,N′-tetramethyl-N′′-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate Tiritiris, Ioannis Kantlehner, Willi Acta Crystallogr E Crystallogr Commun Data Reports In the title salt, C(16)H(34)N(5)O(3) (+)·C(24)H(20)B(−), the C—N bond lengths in the cation are 1.3368 (16), 1.3375 (18) and 1.3594 (17) 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. In the crystal, weak C—H⋯O contacts are observed between neighbouring guanidinium ions and between guanidinium ions and tetraphenylborate anions. In addition, C—H⋯π interactions involving guanidinium H atoms and aromatic rings of the anion are present. The phenyl rings form aromatic pockets, in which the cations are embedded. This leads to the formation of a two-dimensional supramolecular pattern along the ab plane. International Union of Crystallography 2015-12-09 /pmc/articles/PMC4719960/ /pubmed/26870479 http://dx.doi.org/10.1107/S2056989015023142 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′′-(2-ethoxy-2-oxoethyl)-N,N,N′,N′-tetramethyl-N′′-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate |
title | Crystal structure of N′′-(2-ethoxy-2-oxoethyl)-N,N,N′,N′-tetramethyl-N′′-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate |
title_full | Crystal structure of N′′-(2-ethoxy-2-oxoethyl)-N,N,N′,N′-tetramethyl-N′′-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate |
title_fullStr | Crystal structure of N′′-(2-ethoxy-2-oxoethyl)-N,N,N′,N′-tetramethyl-N′′-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate |
title_full_unstemmed | Crystal structure of N′′-(2-ethoxy-2-oxoethyl)-N,N,N′,N′-tetramethyl-N′′-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate |
title_short | Crystal structure of N′′-(2-ethoxy-2-oxoethyl)-N,N,N′,N′-tetramethyl-N′′-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate |
title_sort | crystal structure of n′′-(2-ethoxy-2-oxoethyl)-n,n,n′,n′-tetramethyl-n′′-[3-(1,3,3-trimethylureido)propyl]guanidinium tetraphenylborate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719960/ https://www.ncbi.nlm.nih.gov/pubmed/26870479 http://dx.doi.org/10.1107/S2056989015023142 |
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