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The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate
The title salt, C(10)H(21)N(2)O(+)·C(7)H(12)NO(4)S(−), comprises a 3-methacrylamido-N,N,N-trimethylpropan-1-aminium cation and a 2-acrylamido-2-methylpropane-1-sulfonate anion. The salt crystallizes with two unique cation–anion pairs in the asymmetric unit of the orthorhombic unit cell. The c...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775740/ https://www.ncbi.nlm.nih.gov/pubmed/31636973 http://dx.doi.org/10.1107/S2056989019012003 |
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author | Wickramasinhage, Ravindra N. McAdam, C. John Hanton, Lyall R. Moratti, Stephen C. Simpson, Jim |
author_facet | Wickramasinhage, Ravindra N. McAdam, C. John Hanton, Lyall R. Moratti, Stephen C. Simpson, Jim |
author_sort | Wickramasinhage, Ravindra N. |
collection | PubMed |
description | The title salt, C(10)H(21)N(2)O(+)·C(7)H(12)NO(4)S(−), comprises a 3-methacrylamido-N,N,N-trimethylpropan-1-aminium cation and a 2-acrylamido-2-methylpropane-1-sulfonate anion. The salt crystallizes with two unique cation–anion pairs in the asymmetric unit of the orthorhombic unit cell. The crystal studied was an inversion twin with a 0.52 (4):0.48 (4) domain ratio. In the crystal, the cations and anions stack along the b-axis direction and are linked by an extensive series of N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network. Hirshfeld surface analysis was carried out on both the asymmetric unit and the two individual salts. The contribution of interatomic contacts to the surfaces of the individual cations and anions are also compared. |
format | Online Article Text |
id | pubmed-6775740 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-67757402019-10-21 The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate Wickramasinhage, Ravindra N. McAdam, C. John Hanton, Lyall R. Moratti, Stephen C. Simpson, Jim Acta Crystallogr E Crystallogr Commun Research Communications The title salt, C(10)H(21)N(2)O(+)·C(7)H(12)NO(4)S(−), comprises a 3-methacrylamido-N,N,N-trimethylpropan-1-aminium cation and a 2-acrylamido-2-methylpropane-1-sulfonate anion. The salt crystallizes with two unique cation–anion pairs in the asymmetric unit of the orthorhombic unit cell. The crystal studied was an inversion twin with a 0.52 (4):0.48 (4) domain ratio. In the crystal, the cations and anions stack along the b-axis direction and are linked by an extensive series of N—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network. Hirshfeld surface analysis was carried out on both the asymmetric unit and the two individual salts. The contribution of interatomic contacts to the surfaces of the individual cations and anions are also compared. International Union of Crystallography 2019-09-10 /pmc/articles/PMC6775740/ /pubmed/31636973 http://dx.doi.org/10.1107/S2056989019012003 Text en © Wickramasinhage et al. 2019 http://creativecommons.org/licenses/by/4.0/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/4.0/ |
spellingShingle | Research Communications Wickramasinhage, Ravindra N. McAdam, C. John Hanton, Lyall R. Moratti, Stephen C. Simpson, Jim The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate |
title | The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate |
title_full | The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate |
title_fullStr | The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate |
title_full_unstemmed | The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate |
title_short | The structure and Hirshfeld surface analysis of the salt 3-methacrylamido-N,N,N-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate |
title_sort | structure and hirshfeld surface analysis of the salt 3-methacrylamido-n,n,n-trimethylpropan-1-aminium 2-acrylamido-2-methylpropane-1-sulfonate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775740/ https://www.ncbi.nlm.nih.gov/pubmed/31636973 http://dx.doi.org/10.1107/S2056989019012003 |
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