Cargando…

(But­oxy­methyl­idene)di­methyl­aza­nium tetra­phenyl­borate aceto­nitrile monosolvate

In the title solvated salt, C(7)H(16)NO(+)·C(24)H(20)B(−)·C(2)H(3)N, the C—N bond lengths in the cation are 1.2831 (19), 1.467 (2) and 1.465 (2) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.2950 (18) Å shows a double-bond character, pointing towards charge...

Descripción completa

Detalles Bibliográficos
Autores principales: Tiritiris, Ioannis, Saur, Stefan, Kantlehner, Willi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998583/
https://www.ncbi.nlm.nih.gov/pubmed/24826158
http://dx.doi.org/10.1107/S1600536814005674
_version_ 1782313392970661888
author Tiritiris, Ioannis
Saur, Stefan
Kantlehner, Willi
author_facet Tiritiris, Ioannis
Saur, Stefan
Kantlehner, Willi
author_sort Tiritiris, Ioannis
collection PubMed
description In the title solvated salt, C(7)H(16)NO(+)·C(24)H(20)B(−)·C(2)H(3)N, the C—N bond lengths in the cation are 1.2831 (19), 1.467 (2) and 1.465 (2) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.2950 (18) Å shows a double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. The two C atoms of the n-butyl group are disordered over the two sites, with refined occupancy ratios of 0.890 (5):0.110 (5) and 0.888 (4):0.112 (4). In the crystal, C—H⋯π inter­actions occur between the methine H atom, H atoms of the –N(CH(3))(2) and –CH(2) groups of the cation, and two of the phenyl rings of the tetra­phenyl­borate anion. The latter inter­action forms an aromatic pocket in which the cation is embedded. Thus, a two-dimensional pattern is created in the ac plane.
format Online
Article
Text
id pubmed-3998583
institution National Center for Biotechnology Information
language English
publishDate 2014
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-39985832014-05-13 (But­oxy­methyl­idene)di­methyl­aza­nium tetra­phenyl­borate aceto­nitrile monosolvate Tiritiris, Ioannis Saur, Stefan Kantlehner, Willi Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title solvated salt, C(7)H(16)NO(+)·C(24)H(20)B(−)·C(2)H(3)N, the C—N bond lengths in the cation are 1.2831 (19), 1.467 (2) and 1.465 (2) Å, indicating double- and single-bond character, respectively. The C—O bond length of 1.2950 (18) Å shows a double-bond character, pointing towards charge delocalization within the NCO plane of the iminium ion. The two C atoms of the n-butyl group are disordered over the two sites, with refined occupancy ratios of 0.890 (5):0.110 (5) and 0.888 (4):0.112 (4). In the crystal, C—H⋯π inter­actions occur between the methine H atom, H atoms of the –N(CH(3))(2) and –CH(2) groups of the cation, and two of the phenyl rings of the tetra­phenyl­borate anion. The latter inter­action forms an aromatic pocket in which the cation is embedded. Thus, a two-dimensional pattern is created in the ac plane. International Union of Crystallography 2014-03-19 /pmc/articles/PMC3998583/ /pubmed/24826158 http://dx.doi.org/10.1107/S1600536814005674 Text en © Tiritiris 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
Tiritiris, Ioannis
Saur, Stefan
Kantlehner, Willi
(But­oxy­methyl­idene)di­methyl­aza­nium tetra­phenyl­borate aceto­nitrile monosolvate
title (But­oxy­methyl­idene)di­methyl­aza­nium tetra­phenyl­borate aceto­nitrile monosolvate
title_full (But­oxy­methyl­idene)di­methyl­aza­nium tetra­phenyl­borate aceto­nitrile monosolvate
title_fullStr (But­oxy­methyl­idene)di­methyl­aza­nium tetra­phenyl­borate aceto­nitrile monosolvate
title_full_unstemmed (But­oxy­methyl­idene)di­methyl­aza­nium tetra­phenyl­borate aceto­nitrile monosolvate
title_short (But­oxy­methyl­idene)di­methyl­aza­nium tetra­phenyl­borate aceto­nitrile monosolvate
title_sort (but­oxy­methyl­idene)di­methyl­aza­nium tetra­phenyl­borate aceto­nitrile monosolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998583/
https://www.ncbi.nlm.nih.gov/pubmed/24826158
http://dx.doi.org/10.1107/S1600536814005674
work_keys_str_mv AT tiritirisioannis butoxymethylidenedimethylazaniumtetraphenylborateacetonitrilemonosolvate
AT saurstefan butoxymethylidenedimethylazaniumtetraphenylborateacetonitrilemonosolvate
AT kantlehnerwilli butoxymethylidenedimethylazaniumtetraphenylborateacetonitrilemonosolvate