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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...

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Autores principales: Wickramasinhage, Ravindra N., McAdam, C. John, Hanton, Lyall R., Moratti, Stephen C., Simpson, Jim
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2019
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.
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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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