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S-5-Amino-2-(dimethylammonio)phenyl sulfothioate
The title compound, C(8)H(12)N(2)O(3)S(2), has been isolated as a by-product in the synthesis of methylene blue dye. The compound crystallizes with four independent molecules in the unit cell (Z′= 4). The zwitterionic form of the molecule was established on the basis of the hydrogen atom located...
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2009
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969519/ https://www.ncbi.nlm.nih.gov/pubmed/21583128 http://dx.doi.org/10.1107/S1600536809016912 |
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author | Pavlović, Gordana Racané, Livio Tralić-Kulenović, Vesna |
author_facet | Pavlović, Gordana Racané, Livio Tralić-Kulenović, Vesna |
author_sort | Pavlović, Gordana |
collection | PubMed |
description | The title compound, C(8)H(12)N(2)O(3)S(2), has been isolated as a by-product in the synthesis of methylene blue dye. The compound crystallizes with four independent molecules in the unit cell (Z′= 4). The zwitterionic form of the molecule was established on the basis of the hydrogen atom located at the dimethylamino group. The crystal structure is dominated by intermolecular hydrogen bonds of the N—H⋯O type formed between amino and ammonio N—H groups and O atoms from the sulfothioate group. There are in addition two weak intermolecular N—H⋯N interactions and some non-conventional C—H⋯O hydrogen bonds. |
format | Text |
id | pubmed-2969519 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2009 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-29695192010-12-30 S-5-Amino-2-(dimethylammonio)phenyl sulfothioate Pavlović, Gordana Racané, Livio Tralić-Kulenović, Vesna Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(8)H(12)N(2)O(3)S(2), has been isolated as a by-product in the synthesis of methylene blue dye. The compound crystallizes with four independent molecules in the unit cell (Z′= 4). The zwitterionic form of the molecule was established on the basis of the hydrogen atom located at the dimethylamino group. The crystal structure is dominated by intermolecular hydrogen bonds of the N—H⋯O type formed between amino and ammonio N—H groups and O atoms from the sulfothioate group. There are in addition two weak intermolecular N—H⋯N interactions and some non-conventional C—H⋯O hydrogen bonds. International Union of Crystallography 2009-05-14 /pmc/articles/PMC2969519/ /pubmed/21583128 http://dx.doi.org/10.1107/S1600536809016912 Text en © Pavlović et al. 2009 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 Pavlović, Gordana Racané, Livio Tralić-Kulenović, Vesna S-5-Amino-2-(dimethylammonio)phenyl sulfothioate |
title |
S-5-Amino-2-(dimethylammonio)phenyl sulfothioate |
title_full |
S-5-Amino-2-(dimethylammonio)phenyl sulfothioate |
title_fullStr |
S-5-Amino-2-(dimethylammonio)phenyl sulfothioate |
title_full_unstemmed |
S-5-Amino-2-(dimethylammonio)phenyl sulfothioate |
title_short |
S-5-Amino-2-(dimethylammonio)phenyl sulfothioate |
title_sort | s-5-amino-2-(dimethylammonio)phenyl sulfothioate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969519/ https://www.ncbi.nlm.nih.gov/pubmed/21583128 http://dx.doi.org/10.1107/S1600536809016912 |
work_keys_str_mv | AT pavlovicgordana s5amino2dimethylammoniophenylsulfothioate AT racanelivio s5amino2dimethylammoniophenylsulfothioate AT tralickulenovicvesna s5amino2dimethylammoniophenylsulfothioate |