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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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 |
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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 |
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