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(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...
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/PMC3998583/ https://www.ncbi.nlm.nih.gov/pubmed/24826158 http://dx.doi.org/10.1107/S1600536814005674 |
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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 |
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