Cargando…

1-Ethyl-3-methyl-1H-imidazol-3-ium spiro­penta­borate

In the anion of the title compound, (C(6)H(11)N(2))[B(5)O(6)(OH)(4)], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidaz...

Descripción completa

Detalles Bibliográficos
Autores principales: Parker, T. Gannon, Pubbi, Divya, Beehler, Austin, Albrecht-Schmitt, Thomas E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998326/
https://www.ncbi.nlm.nih.gov/pubmed/24764887
http://dx.doi.org/10.1107/S1600536813034363
_version_ 1782313337913081856
author Parker, T. Gannon
Pubbi, Divya
Beehler, Austin
Albrecht-Schmitt, Thomas E.
author_facet Parker, T. Gannon
Pubbi, Divya
Beehler, Austin
Albrecht-Schmitt, Thomas E.
author_sort Parker, T. Gannon
collection PubMed
description In the anion of the title compound, (C(6)H(11)N(2))[B(5)O(6)(OH)(4)], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C—N—C—C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O—H⋯O hydrogen bonds, forming channels along the a-axis direction. The cations are situated in the channels, forming C—H⋯O hydrogen bonds with the anions.
format Online
Article
Text
id pubmed-3998326
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-39983262014-04-24 1-Ethyl-3-methyl-1H-imidazol-3-ium spiro­penta­borate Parker, T. Gannon Pubbi, Divya Beehler, Austin Albrecht-Schmitt, Thomas E. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the anion of the title compound, (C(6)H(11)N(2))[B(5)O(6)(OH)(4)], both six-membered borate rings adopt a flattened boat conformation with the spiro-B atom and its opposite O atom deviating from the remainders of the rings by 0.261 (3)/0.101 (2) and 0.160 (3)/0.109 (2) Å, respectively. The imidazolium cation also deviates from planarity due to rotation of the ethyl group (as indicated by the C—N—C—C torsion angle) by 71.4 (2)° out of the plane of the heterocycle. In the crystal, the anions are connected in a three-dimensional network through O—H⋯O hydrogen bonds, forming channels along the a-axis direction. The cations are situated in the channels, forming C—H⋯O hydrogen bonds with the anions. International Union of Crystallography 2014-01-18 /pmc/articles/PMC3998326/ /pubmed/24764887 http://dx.doi.org/10.1107/S1600536813034363 Text en © Parker et al. 2014 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
Parker, T. Gannon
Pubbi, Divya
Beehler, Austin
Albrecht-Schmitt, Thomas E.
1-Ethyl-3-methyl-1H-imidazol-3-ium spiro­penta­borate
title 1-Ethyl-3-methyl-1H-imidazol-3-ium spiro­penta­borate
title_full 1-Ethyl-3-methyl-1H-imidazol-3-ium spiro­penta­borate
title_fullStr 1-Ethyl-3-methyl-1H-imidazol-3-ium spiro­penta­borate
title_full_unstemmed 1-Ethyl-3-methyl-1H-imidazol-3-ium spiro­penta­borate
title_short 1-Ethyl-3-methyl-1H-imidazol-3-ium spiro­penta­borate
title_sort 1-ethyl-3-methyl-1h-imidazol-3-ium spiro­penta­borate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998326/
https://www.ncbi.nlm.nih.gov/pubmed/24764887
http://dx.doi.org/10.1107/S1600536813034363
work_keys_str_mv AT parkertgannon 1ethyl3methyl1himidazol3iumspiropentaborate
AT pubbidivya 1ethyl3methyl1himidazol3iumspiropentaborate
AT beehleraustin 1ethyl3methyl1himidazol3iumspiropentaborate
AT albrechtschmittthomase 1ethyl3methyl1himidazol3iumspiropentaborate