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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...

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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/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.
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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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AT kantlehnerwilli crystalstructureofn2ethoxy2oxoethylnnnntetramethyln3133trimethylureidopropylguanidiniumtetraphenylborate