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(S)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide
In the title compound, C(11)H(18)N(2)S(2+)·2Br(−), the pyrrolidine ring displays a half-chair conformation, with the flap C atom lying 0.522 (5) Å out of the plane of the other four atoms. The methylene C atom, which connects the pyrrolidinium ring and the thioether group, is displaced from the pl...
Autores principales: | , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2008
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962173/ https://www.ncbi.nlm.nih.gov/pubmed/21203253 http://dx.doi.org/10.1107/S1600536808021089 |
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author | Li, Bailin Zhang, Shuai Wang, Yifeng Luo, Shuping |
author_facet | Li, Bailin Zhang, Shuai Wang, Yifeng Luo, Shuping |
author_sort | Li, Bailin |
collection | PubMed |
description | In the title compound, C(11)H(18)N(2)S(2+)·2Br(−), the pyrrolidine ring displays a half-chair conformation, with the flap C atom lying 0.522 (5) Å out of the plane of the other four atoms. The methylene C atom, which connects the pyrrolidinium ring and the thioether group, is displaced from the plane of four pyrrolidinium atoms by 0.690 (6) Å in the same direction as the flap C atom. The plane of four pyrrolidinium atoms is almost perpendicular to the benzene ring [dihedral angle = 75.02 (4)°]. The crystal structure is stabilized by hydrogen bonds between the N and Br atoms. |
format | Text |
id | pubmed-2962173 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2008 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29621732010-12-30 (S)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide Li, Bailin Zhang, Shuai Wang, Yifeng Luo, Shuping Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(18)N(2)S(2+)·2Br(−), the pyrrolidine ring displays a half-chair conformation, with the flap C atom lying 0.522 (5) Å out of the plane of the other four atoms. The methylene C atom, which connects the pyrrolidinium ring and the thioether group, is displaced from the plane of four pyrrolidinium atoms by 0.690 (6) Å in the same direction as the flap C atom. The plane of four pyrrolidinium atoms is almost perpendicular to the benzene ring [dihedral angle = 75.02 (4)°]. The crystal structure is stabilized by hydrogen bonds between the N and Br atoms. International Union of Crystallography 2008-07-19 /pmc/articles/PMC2962173/ /pubmed/21203253 http://dx.doi.org/10.1107/S1600536808021089 Text en © Li et al. 2008 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 Li, Bailin Zhang, Shuai Wang, Yifeng Luo, Shuping (S)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide |
title | (S)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide |
title_full | (S)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide |
title_fullStr | (S)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide |
title_full_unstemmed | (S)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide |
title_short | (S)-2-[(2-Ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide |
title_sort | (s)-2-[(2-ammoniophenyl)sulfanylmethyl]pyrrolidinium dibromide |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2962173/ https://www.ncbi.nlm.nih.gov/pubmed/21203253 http://dx.doi.org/10.1107/S1600536808021089 |
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