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

In the title mol­ecular salt, C6H10N3O+·C7H5O3 −, 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...

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Main Authors: Jeevaraj, Muthaiah, Sivajeyanthi, Palaniyappan, Edison, Bellarmin, Thanigaimani, Kaliyaperumal, Balasubramani, Kasthuri, Razak, Ibrahim Abdul
Format: Article
Language:English
Published: International Union of Crystallography 2017
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Online Access:http://eprints.usm.my/36885/1/%28Cystral_structure%29_hb7693.pdf
http://eprints.usm.my/36885/
https://doi.org/10.1107/S2056989017011252
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spelling my.usm.eprints.36885 http://eprints.usm.my/36885/ 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 QC1-999 Physics In the title mol­ecular salt, C6H10N3O+·C7H5O3 −, 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 2017-09 Article PeerReviewed application/pdf en http://eprints.usm.my/36885/1/%28Cystral_structure%29_hb7693.pdf Jeevaraj, Muthaiah and Sivajeyanthi, Palaniyappan and Edison, Bellarmin and Thanigaimani, Kaliyaperumal and Balasubramani, Kasthuri and Razak, Ibrahim Abdul (2017) Crystal structure and Hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate. Acta Crystallographica Section E: Crystallographic Communications , 73 (9). pp. 1305-1307. ISSN 2056-9890 https://doi.org/10.1107/S2056989017011252
institution Universiti Sains Malaysia
building Hamzah Sendut Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Sains Malaysia
content_source USM Institutional Repository
url_provider http://eprints.usm.my/
language English
topic QC1-999 Physics
spellingShingle QC1-999 Physics
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
description In the title mol­ecular salt, C6H10N3O+·C7H5O3 −, 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.
format Article
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
title 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_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_sort crystal structure and hirshfeld surface analysis of 2-amino-4-methoxy-6-methylpyrimidinium 2-hydroxybenzoate
publisher International Union of Crystallography
publishDate 2017
url http://eprints.usm.my/36885/1/%28Cystral_structure%29_hb7693.pdf
http://eprints.usm.my/36885/
https://doi.org/10.1107/S2056989017011252
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