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1-{2-[2-(1H-Benzimidazol-1-yl)ethoxy]ethyl}-1H-benzimidazol-3-ium hexafluorophosphate
In the title salt, C(18)H(19)N(4)O(+)·PF(6) (−), the dihedral angle between the benzimidazolium and benzimidazole ring systems is 16.24 (2)°. In the cation, a π–π interaction is observed between the imidazolium ring and the benzene ring of the benzimidazole ring system [centroid–centroid distance =...
Autores principales: | , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979123/ https://www.ncbi.nlm.nih.gov/pubmed/21579212 http://dx.doi.org/10.1107/S1600536810014534 |
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author | Sun, Sheng-Fu Xu, Jin Qin, Da-Bin |
author_facet | Sun, Sheng-Fu Xu, Jin Qin, Da-Bin |
author_sort | Sun, Sheng-Fu |
collection | PubMed |
description | In the title salt, C(18)H(19)N(4)O(+)·PF(6) (−), the dihedral angle between the benzimidazolium and benzimidazole ring systems is 16.24 (2)°. In the cation, a π–π interaction is observed between the imidazolium ring and the benzene ring of the benzimidazole ring system [centroid–centroid distance = 3.5713 (11) Å]. The PF(6) (−) ion is disordered over two sites, with occupancies of 0.895 (2) and 0.105 (2). In the crystal structure, pairs of N—H⋯N hydrogen bonds link the cations, forming centrosymmetric dimers. The dimers are linked via π–π interactions [centroid–centroid distance = 3.5606 (11) Å]. In addition, C—H⋯F hydrogen bonds are observed. |
format | Text |
id | pubmed-2979123 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29791232010-12-30 1-{2-[2-(1H-Benzimidazol-1-yl)ethoxy]ethyl}-1H-benzimidazol-3-ium hexafluorophosphate Sun, Sheng-Fu Xu, Jin Qin, Da-Bin Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title salt, C(18)H(19)N(4)O(+)·PF(6) (−), the dihedral angle between the benzimidazolium and benzimidazole ring systems is 16.24 (2)°. In the cation, a π–π interaction is observed between the imidazolium ring and the benzene ring of the benzimidazole ring system [centroid–centroid distance = 3.5713 (11) Å]. The PF(6) (−) ion is disordered over two sites, with occupancies of 0.895 (2) and 0.105 (2). In the crystal structure, pairs of N—H⋯N hydrogen bonds link the cations, forming centrosymmetric dimers. The dimers are linked via π–π interactions [centroid–centroid distance = 3.5606 (11) Å]. In addition, C—H⋯F hydrogen bonds are observed. International Union of Crystallography 2010-04-24 /pmc/articles/PMC2979123/ /pubmed/21579212 http://dx.doi.org/10.1107/S1600536810014534 Text en © Sun et al. 2010 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 Sun, Sheng-Fu Xu, Jin Qin, Da-Bin 1-{2-[2-(1H-Benzimidazol-1-yl)ethoxy]ethyl}-1H-benzimidazol-3-ium hexafluorophosphate |
title | 1-{2-[2-(1H-Benzimidazol-1-yl)ethoxy]ethyl}-1H-benzimidazol-3-ium hexafluorophosphate |
title_full | 1-{2-[2-(1H-Benzimidazol-1-yl)ethoxy]ethyl}-1H-benzimidazol-3-ium hexafluorophosphate |
title_fullStr | 1-{2-[2-(1H-Benzimidazol-1-yl)ethoxy]ethyl}-1H-benzimidazol-3-ium hexafluorophosphate |
title_full_unstemmed | 1-{2-[2-(1H-Benzimidazol-1-yl)ethoxy]ethyl}-1H-benzimidazol-3-ium hexafluorophosphate |
title_short | 1-{2-[2-(1H-Benzimidazol-1-yl)ethoxy]ethyl}-1H-benzimidazol-3-ium hexafluorophosphate |
title_sort | 1-{2-[2-(1h-benzimidazol-1-yl)ethoxy]ethyl}-1h-benzimidazol-3-ium hexafluorophosphate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979123/ https://www.ncbi.nlm.nih.gov/pubmed/21579212 http://dx.doi.org/10.1107/S1600536810014534 |
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