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Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate

In the title mol­ecular salt, 2C(6)H(10)N(3)O(+)·C(8)H(4)O(4) (2−), the N atom of each of the two 2-amino-4-meth­oxy-6-methyl­pyrimidine mol­ecules lying between the amine and methyl groups has been protonated. The dihedral angles between the pyrimidine rings of the cations and the benzene ring of t...

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Autores principales: Jeevaraj, Muthaiah, Sivajeyanthi, Palaniyappan, Edison, Bellarmin, Thanigaimani, Kaliyaperumal, Balasubramani, Kasthuri, Razak, Ibrahim Abdul
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730326/
https://www.ncbi.nlm.nih.gov/pubmed/29250389
http://dx.doi.org/10.1107/S2056989017013950
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author Jeevaraj, Muthaiah
Sivajeyanthi, Palaniyappan
Edison, Bellarmin
Thanigaimani, Kaliyaperumal
Balasubramani, Kasthuri
Razak, Ibrahim Abdul
author_facet Jeevaraj, Muthaiah
Sivajeyanthi, Palaniyappan
Edison, Bellarmin
Thanigaimani, Kaliyaperumal
Balasubramani, Kasthuri
Razak, Ibrahim Abdul
author_sort Jeevaraj, Muthaiah
collection PubMed
description In the title mol­ecular salt, 2C(6)H(10)N(3)O(+)·C(8)H(4)O(4) (2−), the N atom of each of the two 2-amino-4-meth­oxy-6-methyl­pyrimidine mol­ecules lying between the amine and methyl groups has been protonated. The dihedral angles between the pyrimidine rings of the cations and the benzene ring of the succinate dianion are 5.04 (8) and 7.95 (8)°. Each of the cations is linked to the anion through a pair of N—H⋯O(carboxyl­ate) hydrogen bonds, forming cyclic R (2) (2)(8) ring motifs which are then linked through inversion-related N—H⋯O hydrogen bonds, giving a central R (2) (4)(8) motif. Peripheral amine N—H⋯O hydrogen-bonding inter­actions on either side of the succinate anion, also through centrosymmetric R (2) (2)(8) extensions, form one-dimensional ribbons extending along [211]. The crystal structure also features π–π stacking inter­actions between the aromatic rings of the pyrimidine cations [minimum ring centroid separation = 3.6337 (9) Å]. The inter­molecular inter­actions were also investigated using Hirshfeld surface studies and two-dimensional fingerprint images.
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spelling pubmed-57303262017-12-15 Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate Jeevaraj, Muthaiah Sivajeyanthi, Palaniyappan Edison, Bellarmin Thanigaimani, Kaliyaperumal Balasubramani, Kasthuri Razak, Ibrahim Abdul Acta Crystallogr E Crystallogr Commun Research Communications In the title mol­ecular salt, 2C(6)H(10)N(3)O(+)·C(8)H(4)O(4) (2−), the N atom of each of the two 2-amino-4-meth­oxy-6-methyl­pyrimidine mol­ecules lying between the amine and methyl groups has been protonated. The dihedral angles between the pyrimidine rings of the cations and the benzene ring of the succinate dianion are 5.04 (8) and 7.95 (8)°. Each of the cations is linked to the anion through a pair of N—H⋯O(carboxyl­ate) hydrogen bonds, forming cyclic R (2) (2)(8) ring motifs which are then linked through inversion-related N—H⋯O hydrogen bonds, giving a central R (2) (4)(8) motif. Peripheral amine N—H⋯O hydrogen-bonding inter­actions on either side of the succinate anion, also through centrosymmetric R (2) (2)(8) extensions, form one-dimensional ribbons extending along [211]. The crystal structure also features π–π stacking inter­actions between the aromatic rings of the pyrimidine cations [minimum ring centroid separation = 3.6337 (9) Å]. The inter­molecular inter­actions were also investigated using Hirshfeld surface studies and two-dimensional fingerprint images. International Union of Crystallography 2017-09-29 /pmc/articles/PMC5730326/ /pubmed/29250389 http://dx.doi.org/10.1107/S2056989017013950 Text en © Jeevaraj et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/
spellingShingle Research Communications
Jeevaraj, Muthaiah
Sivajeyanthi, Palaniyappan
Edison, Bellarmin
Thanigaimani, Kaliyaperumal
Balasubramani, Kasthuri
Razak, Ibrahim Abdul
Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate
title Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate
title_full Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate
title_fullStr Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate
title_full_unstemmed Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate
title_short Supra­molecular patterns and Hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate
title_sort supra­molecular patterns and hirshfeld surface analysis in the crystal structure of bis­(2-amino-4-meth­oxy-6-methyl­pyrimidinium) isophthalate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730326/
https://www.ncbi.nlm.nih.gov/pubmed/29250389
http://dx.doi.org/10.1107/S2056989017013950
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