Cargando…
Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate
In the title compound, C(8)H(20)N(+)·C(3)H(10)B(11)N(2) (−), the carborane anion cage displays nearly-perfect C(s) symmetry, with the two CN groups lying on a noncrystallographic mirror plane that bisects the cage. In the crystal, the anions form extended chains along the a-axis direction, with C—H...
Autores principales: | , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998626/ https://www.ncbi.nlm.nih.gov/pubmed/24826126 http://dx.doi.org/10.1107/S1600536814004759 |
_version_ | 1782313402813644800 |
---|---|
author | Juhasz, Marcus A. Juers, Douglas H. Dwulet, Gregory E. Rosenbaum, Aaron J. |
author_facet | Juhasz, Marcus A. Juers, Douglas H. Dwulet, Gregory E. Rosenbaum, Aaron J. |
author_sort | Juhasz, Marcus A. |
collection | PubMed |
description | In the title compound, C(8)H(20)N(+)·C(3)H(10)B(11)N(2) (−), the carborane anion cage displays nearly-perfect C(s) symmetry, with the two CN groups lying on a noncrystallographic mirror plane that bisects the cage. In the crystal, the anions form extended chains along the a-axis direction, with C—H⋯N hydrogen bonds linking consecutive anions. The C N bond lengths (and B—C N angles) in the nitrile moities are 1.1201 (19) Å, 178.60 (15)° and 1.1433 (17) Å, 179.45 (15)°, similar to those observed in organic nitriles. A hydrogen bond between a methylene H atom of the cation and the N atom in one of the nitrile groups of the anion is the closest contact between the anion and cation, at 2.52 Å. |
format | Online Article Text |
id | pubmed-3998626 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39986262014-05-13 Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate Juhasz, Marcus A. Juers, Douglas H. Dwulet, Gregory E. Rosenbaum, Aaron J. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(20)N(+)·C(3)H(10)B(11)N(2) (−), the carborane anion cage displays nearly-perfect C(s) symmetry, with the two CN groups lying on a noncrystallographic mirror plane that bisects the cage. In the crystal, the anions form extended chains along the a-axis direction, with C—H⋯N hydrogen bonds linking consecutive anions. The C N bond lengths (and B—C N angles) in the nitrile moities are 1.1201 (19) Å, 178.60 (15)° and 1.1433 (17) Å, 179.45 (15)°, similar to those observed in organic nitriles. A hydrogen bond between a methylene H atom of the cation and the N atom in one of the nitrile groups of the anion is the closest contact between the anion and cation, at 2.52 Å. International Union of Crystallography 2014-03-12 /pmc/articles/PMC3998626/ /pubmed/24826126 http://dx.doi.org/10.1107/S1600536814004759 Text en © Juhasz 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 Juhasz, Marcus A. Juers, Douglas H. Dwulet, Gregory E. Rosenbaum, Aaron J. Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate |
title | Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate |
title_full | Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate |
title_fullStr | Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate |
title_full_unstemmed | Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate |
title_short | Tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate |
title_sort | tetraethylammonium 7,12-dicyano-1-carba-closo-dodecaborate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998626/ https://www.ncbi.nlm.nih.gov/pubmed/24826126 http://dx.doi.org/10.1107/S1600536814004759 |
work_keys_str_mv | AT juhaszmarcusa tetraethylammonium712dicyano1carbaclosododecaborate AT juersdouglash tetraethylammonium712dicyano1carbaclosododecaborate AT dwuletgregorye tetraethylammonium712dicyano1carbaclosododecaborate AT rosenbaumaaronj tetraethylammonium712dicyano1carbaclosododecaborate |