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Bis{(R)-1-(3-aminosulfonyl-4-methoxyphenyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate
The title compound, 2C(20)H(29)N(2)O(5)S(+)·C(6)H(8)O(4) (2−)·4H(2)O, which was found to be optically active, is a relatively rare example of a chiral compound crystallizing in the triclinic crystal system. The dihedral angles between the phenyl rings of the cations are 60.03 (15) and 62.03 (16)°, w...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629575/ https://www.ncbi.nlm.nih.gov/pubmed/23634062 http://dx.doi.org/10.1107/S1600536813005254 |
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author | Ham, Zoran Meden, Anton Kasunič, Marta |
author_facet | Ham, Zoran Meden, Anton Kasunič, Marta |
author_sort | Ham, Zoran |
collection | PubMed |
description | The title compound, 2C(20)H(29)N(2)O(5)S(+)·C(6)H(8)O(4) (2−)·4H(2)O, which was found to be optically active, is a relatively rare example of a chiral compound crystallizing in the triclinic crystal system. The dihedral angles between the phenyl rings of the cations are 60.03 (15) and 62.03 (16)°, while the C atoms of the anion are almost coplanar (r.m.s. deviation 0.085 Å) and all trans to each other. In the crystal, the components are connected by an extensive network of N—H⋯O and O—H⋯O hydrogen bonds. The sulfonamide groups link the cations into pairs via two N—H⋯O hydrogen bonds about the pseudo-inversion centre, leading to the formation of R (2) (2)(8) rings. The anions are stacked in between four cationic pairs. Pairs of water molecules bridge the larger building units, forming hydrogen bonds with the remaining two O atoms of the anion. |
format | Online Article Text |
id | pubmed-3629575 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36295752013-04-30 Bis{(R)-1-(3-aminosulfonyl-4-methoxyphenyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate Ham, Zoran Meden, Anton Kasunič, Marta Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, 2C(20)H(29)N(2)O(5)S(+)·C(6)H(8)O(4) (2−)·4H(2)O, which was found to be optically active, is a relatively rare example of a chiral compound crystallizing in the triclinic crystal system. The dihedral angles between the phenyl rings of the cations are 60.03 (15) and 62.03 (16)°, while the C atoms of the anion are almost coplanar (r.m.s. deviation 0.085 Å) and all trans to each other. In the crystal, the components are connected by an extensive network of N—H⋯O and O—H⋯O hydrogen bonds. The sulfonamide groups link the cations into pairs via two N—H⋯O hydrogen bonds about the pseudo-inversion centre, leading to the formation of R (2) (2)(8) rings. The anions are stacked in between four cationic pairs. Pairs of water molecules bridge the larger building units, forming hydrogen bonds with the remaining two O atoms of the anion. International Union of Crystallography 2013-03-09 /pmc/articles/PMC3629575/ /pubmed/23634062 http://dx.doi.org/10.1107/S1600536813005254 Text en © Ham et al. 2013 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 Ham, Zoran Meden, Anton Kasunič, Marta Bis{(R)-1-(3-aminosulfonyl-4-methoxyphenyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate |
title | Bis{(R)-1-(3-aminosulfonyl-4-methoxyphenyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate |
title_full | Bis{(R)-1-(3-aminosulfonyl-4-methoxyphenyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate |
title_fullStr | Bis{(R)-1-(3-aminosulfonyl-4-methoxyphenyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate |
title_full_unstemmed | Bis{(R)-1-(3-aminosulfonyl-4-methoxyphenyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate |
title_short | Bis{(R)-1-(3-aminosulfonyl-4-methoxyphenyl)-N-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate |
title_sort | bis{(r)-1-(3-aminosulfonyl-4-methoxyphenyl)-n-[2-(2-ethoxyphenoxy)ethyl]propan-2-aminium} adipate tetrahydrate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3629575/ https://www.ncbi.nlm.nih.gov/pubmed/23634062 http://dx.doi.org/10.1107/S1600536813005254 |
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