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Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate
The asymmetric unit of the title salt, 2C(17)H(21)N(2)O(2)S(+)·C(14)H(14)O(7)P(2) (2−), contains half of a centrosymmetric bis(4-methoxyphenyl)diphosphonate anion and one 2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium cation. In the anion, the O atoms of th...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998403/ https://www.ncbi.nlm.nih.gov/pubmed/24765038 http://dx.doi.org/10.1107/S1600536814003766 |
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author | Akkurt, Mehmet Mague, Joel T. Mohamed, Shaaban K. Younes, Sabry H. H. Albayati, Mustafa R. |
author_facet | Akkurt, Mehmet Mague, Joel T. Mohamed, Shaaban K. Younes, Sabry H. H. Albayati, Mustafa R. |
author_sort | Akkurt, Mehmet |
collection | PubMed |
description | The asymmetric unit of the title salt, 2C(17)H(21)N(2)O(2)S(+)·C(14)H(14)O(7)P(2) (2−), contains half of a centrosymmetric bis(4-methoxyphenyl)diphosphonate anion and one 2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium cation. In the anion, the O atoms of the diphosphonate group are disordered over two positions with equal occupancies. In the cation, the ethyl group is disordered over two orientations with a refined occupancy ratio of 0.753 (5):0.247 (5), and the tetrahydropyridinium ring adopts a distorted half-chair conformation. In the crystal, the ions are linked by C—H⋯O, N—H⋯O and C—H⋯S hydrogen bonds into a three-dimensional network. |
format | Online Article Text |
id | pubmed-3998403 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-39984032014-04-24 Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate Akkurt, Mehmet Mague, Joel T. Mohamed, Shaaban K. Younes, Sabry H. H. Albayati, Mustafa R. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title salt, 2C(17)H(21)N(2)O(2)S(+)·C(14)H(14)O(7)P(2) (2−), contains half of a centrosymmetric bis(4-methoxyphenyl)diphosphonate anion and one 2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium cation. In the anion, the O atoms of the diphosphonate group are disordered over two positions with equal occupancies. In the cation, the ethyl group is disordered over two orientations with a refined occupancy ratio of 0.753 (5):0.247 (5), and the tetrahydropyridinium ring adopts a distorted half-chair conformation. In the crystal, the ions are linked by C—H⋯O, N—H⋯O and C—H⋯S hydrogen bonds into a three-dimensional network. International Union of Crystallography 2014-02-22 /pmc/articles/PMC3998403/ /pubmed/24765038 http://dx.doi.org/10.1107/S1600536814003766 Text en © Akkurt et al. 2014 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 Akkurt, Mehmet Mague, Joel T. Mohamed, Shaaban K. Younes, Sabry H. H. Albayati, Mustafa R. Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate |
title | Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate |
title_full | Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate |
title_fullStr | Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate |
title_full_unstemmed | Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate |
title_short | Bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate |
title_sort | bis(2-amino-5-benzyl-3-ethoxycarbonyl-4,5,6,7-tetrahydrothieno[3,2-c]pyridin-5-ium) bis(4-methoxyphenyl)diphosphonate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3998403/ https://www.ncbi.nlm.nih.gov/pubmed/24765038 http://dx.doi.org/10.1107/S1600536814003766 |
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