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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...

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Detalles Bibliográficos
Autores principales: Li, Bailin, Zhang, Shuai, Wang, Yifeng, Luo, Shuping
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2008
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.
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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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