Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate

In the title mol­ecular salt, C(6)H(10)N(3)O(+)·C(7)H(5)O(3) (−), the cation is protonated at the N atom lying between the amine and methyl substituents and the dihedral angle between the carboxyl group and its attached ring in the anion is 4.0 (2)°. The anion features an intra­molecular O—H⋯O hydro...

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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:
Research Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588567/
https://www.ncbi.nlm.nih.gov/pubmed/28932461
http://dx.doi.org/10.1107/S2056989017011252
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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, C(6)H(10)N(3)O(+)·C(7)H(5)O(3) (−), the cation is protonated at the N atom lying between the amine and methyl substituents and the dihedral angle between the carboxyl group and its attached ring in the anion is 4.0 (2)°. The anion features an intra­molecular O—H⋯O hydrogen bond, which closes an S(6) ring. The cation and anion are linked by two N—H⋯O hydrogen bonds [R (2) (2)(8) motif] to generate an ion pair in which the dihedral angle between the aromatic rings is 8.34 (9)°. Crystal symmetry relates two ion pairs bridged by further N—H⋯O hydrogen bonds into a tetra­meric DDAA array. The tetra­mers are linked by pairs of C—H⋯O hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented.
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spelling pubmed-55885672017-09-20 Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate 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, C(6)H(10)N(3)O(+)·C(7)H(5)O(3) (−), the cation is protonated at the N atom lying between the amine and methyl substituents and the dihedral angle between the carboxyl group and its attached ring in the anion is 4.0 (2)°. The anion features an intra­molecular O—H⋯O hydrogen bond, which closes an S(6) ring. The cation and anion are linked by two N—H⋯O hydrogen bonds [R (2) (2)(8) motif] to generate an ion pair in which the dihedral angle between the aromatic rings is 8.34 (9)°. Crystal symmetry relates two ion pairs bridged by further N—H⋯O hydrogen bonds into a tetra­meric DDAA array. The tetra­mers are linked by pairs of C—H⋯O hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented. International Union of Crystallography 2017-08-08 /pmc/articles/PMC5588567/ /pubmed/28932461 http://dx.doi.org/10.1107/S2056989017011252 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
Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate
title Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate
title_full Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate
title_fullStr Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate
title_full_unstemmed Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate
title_short Crystal structure and Hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate
title_sort crystal structure and hirshfeld surface analysis of 2-amino-4-meth­oxy-6-methyl­pyrimidinium 2-hy­droxy­benzoate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588567/
https://www.ncbi.nlm.nih.gov/pubmed/28932461
http://dx.doi.org/10.1107/S2056989017011252
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