2-Dimethylamino-1-(2-ethoxy-2-oxo­ethyl)-3-methyl-3,4,5,6-tetrahydro­pyrimidin-1-ium tetraphenylborate

Isolated guanidinium ions and tetra­phenyl­borate ions are present in the crystal structure of the title compound, C(11)H(22)N(3)O(2) (+)·C(24)H(20)B(−). In the guanidinium ion, the dihedral angle between the N/C/N and C/C/C planes being 49.9 (1)°. The six-membered ring exhibits a half-chair conform...

Descripción completa

Detalles Bibliográficos
Autores principales: Tiritiris, Ioannis, Kantlehner, Willi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393274/
https://www.ncbi.nlm.nih.gov/pubmed/22807831
http://dx.doi.org/10.1107/S1600536812023951
_version_ 1782237711420096512
author Tiritiris, Ioannis
Kantlehner, Willi
author_facet Tiritiris, Ioannis
Kantlehner, Willi
author_sort Tiritiris, Ioannis
collection PubMed
description Isolated guanidinium ions and tetra­phenyl­borate ions are present in the crystal structure of the title compound, C(11)H(22)N(3)O(2) (+)·C(24)H(20)B(−). In the guanidinium ion, the dihedral angle between the N/C/N and C/C/C planes being 49.9 (1)°. The six-membered ring exhibits a half-chair conformation. The C—N bond lengths in the cation range between 1.3335 (16) and 1.3552 (16) Å, indicating charge delocalization on the CN(3) plane. In the crystal, the cations are connected by C—H⋯O hydrogen bonds, generating a chain along the c axis.
format Online
Article
Text
id pubmed-3393274
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33932742012-07-17 2-Dimethylamino-1-(2-ethoxy-2-oxo­ethyl)-3-methyl-3,4,5,6-tetrahydro­pyrimidin-1-ium tetraphenylborate Tiritiris, Ioannis Kantlehner, Willi Acta Crystallogr Sect E Struct Rep Online Organic Papers Isolated guanidinium ions and tetra­phenyl­borate ions are present in the crystal structure of the title compound, C(11)H(22)N(3)O(2) (+)·C(24)H(20)B(−). In the guanidinium ion, the dihedral angle between the N/C/N and C/C/C planes being 49.9 (1)°. The six-membered ring exhibits a half-chair conformation. The C—N bond lengths in the cation range between 1.3335 (16) and 1.3552 (16) Å, indicating charge delocalization on the CN(3) plane. In the crystal, the cations are connected by C—H⋯O hydrogen bonds, generating a chain along the c axis. International Union of Crystallography 2012-06-02 /pmc/articles/PMC3393274/ /pubmed/22807831 http://dx.doi.org/10.1107/S1600536812023951 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
2-Dimethylamino-1-(2-ethoxy-2-oxo­ethyl)-3-methyl-3,4,5,6-tetrahydro­pyrimidin-1-ium tetraphenylborate
title 2-Dimethylamino-1-(2-ethoxy-2-oxo­ethyl)-3-methyl-3,4,5,6-tetrahydro­pyrimidin-1-ium tetraphenylborate
title_full 2-Dimethylamino-1-(2-ethoxy-2-oxo­ethyl)-3-methyl-3,4,5,6-tetrahydro­pyrimidin-1-ium tetraphenylborate
title_fullStr 2-Dimethylamino-1-(2-ethoxy-2-oxo­ethyl)-3-methyl-3,4,5,6-tetrahydro­pyrimidin-1-ium tetraphenylborate
title_full_unstemmed 2-Dimethylamino-1-(2-ethoxy-2-oxo­ethyl)-3-methyl-3,4,5,6-tetrahydro­pyrimidin-1-ium tetraphenylborate
title_short 2-Dimethylamino-1-(2-ethoxy-2-oxo­ethyl)-3-methyl-3,4,5,6-tetrahydro­pyrimidin-1-ium tetraphenylborate
title_sort 2-dimethylamino-1-(2-ethoxy-2-oxo­ethyl)-3-methyl-3,4,5,6-tetrahydro­pyrimidin-1-ium tetraphenylborate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3393274/
https://www.ncbi.nlm.nih.gov/pubmed/22807831
http://dx.doi.org/10.1107/S1600536812023951
work_keys_str_mv AT tiritirisioannis 2dimethylamino12ethoxy2oxoethyl3methyl3456tetrahydropyrimidin1iumtetraphenylborate
AT kantlehnerwilli 2dimethylamino12ethoxy2oxoethyl3methyl3456tetrahydropyrimidin1iumtetraphenylborate

Ejemplares similares