S-2-Amino-5-(dimethylammonio)phenyl sulfothioate
The title compound, C8H12N2O3S2, has been isolated as an intermediate in the synthesis of methylene blue dye, the best known phenothiazine dye, and structurally characterized as a zwitterion. The crystal structure is dominated by intermolecular N—H...O hydrogen bonds between the amine...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2009-06-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809016158 |
| _version_ | 1828856819039076352 |
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| author | Gordana Pavlović Livio Racané Vesna Tralić-Kulenović |
| author_facet | Gordana Pavlović Livio Racané Vesna Tralić-Kulenović |
| author_sort | Gordana Pavlović |
| collection | DOAJ |
| description | The title compound, C8H12N2O3S2, has been isolated as an intermediate in the synthesis of methylene blue dye, the best known phenothiazine dye, and structurally characterized as a zwitterion. The crystal structure is dominated by intermolecular N—H...O hydrogen bonds between the amine and sulfothioate groups, with graph-set motif C(9)R22(8), involving antiparallel chains and a centrosymmetric eight-membered ring. A hydrogen bond with graph-set motif R22(14) between the ammonium and sulfothioate groups completes the two-dimensional network in the ab plane. Intermolecular C—H...O hydrogen bonds are also present in the crystal. |
| first_indexed | 2024-12-13T01:23:09Z |
| format | Article |
| id | doaj.art-42dc92ff7b824732ac5d33e080a47ad7 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-13T01:23:09Z |
| publishDate | 2009-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-42dc92ff7b824732ac5d33e080a47ad72022-12-22T00:04:11ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-06-01656o1215o121510.1107/S1600536809016158S-2-Amino-5-(dimethylammonio)phenyl sulfothioateGordana PavlovićLivio RacanéVesna Tralić-KulenovićThe title compound, C8H12N2O3S2, has been isolated as an intermediate in the synthesis of methylene blue dye, the best known phenothiazine dye, and structurally characterized as a zwitterion. The crystal structure is dominated by intermolecular N—H...O hydrogen bonds between the amine and sulfothioate groups, with graph-set motif C(9)R22(8), involving antiparallel chains and a centrosymmetric eight-membered ring. A hydrogen bond with graph-set motif R22(14) between the ammonium and sulfothioate groups completes the two-dimensional network in the ab plane. Intermolecular C—H...O hydrogen bonds are also present in the crystal.http://scripts.iucr.org/cgi-bin/paper?S1600536809016158 |
| spellingShingle | Gordana Pavlović Livio Racané Vesna Tralić-Kulenović S-2-Amino-5-(dimethylammonio)phenyl sulfothioate Acta Crystallographica Section E |
| title | S-2-Amino-5-(dimethylammonio)phenyl sulfothioate |
| title_full | S-2-Amino-5-(dimethylammonio)phenyl sulfothioate |
| title_fullStr | S-2-Amino-5-(dimethylammonio)phenyl sulfothioate |
| title_full_unstemmed | S-2-Amino-5-(dimethylammonio)phenyl sulfothioate |
| title_short | S-2-Amino-5-(dimethylammonio)phenyl sulfothioate |
| title_sort | s 2 amino 5 dimethylammonio phenyl sulfothioate |
| url | http://scripts.iucr.org/cgi-bin/paper?S1600536809016158 |
| work_keys_str_mv | AT gordanapavloviamp263 s2amino5dimethylammoniophenylsulfothioate AT livioracanamp233 s2amino5dimethylammoniophenylsulfothioate AT vesnatraliamp263kulenoviamp263 s2amino5dimethylammoniophenylsulfothioate |