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—HO hydrogen bond, which closes...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017
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| Subjects: | |
| Online Access: | http://eprints.usm.my/38556/1/Crystal_structure_and_Hirshfeld_surface_analysis_of_2-amino-4-methoxy-6-methylpyrimidinium.pdf |
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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 | USM |
| 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—HO hydrogen bond, which closes an S(6) ring. The cation and anion are linked by two N—HO hydrogen bonds [R2 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—HO hydrogen bonds into a tetrameric DDAA array. The tetramers are linked by pairs of C—HO hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented. |
| first_indexed | 2024-03-06T15:14:21Z |
| format | Article |
| id | usm.eprints-38556 |
| institution | Universiti Sains Malaysia |
| language | English |
| last_indexed | 2024-03-06T15:14:21Z |
| publishDate | 2017 |
| publisher | International Union of Crystallography |
| record_format | dspace |
| spelling | usm.eprints-385562018-08-15T04:18:21Z http://eprints.usm.my/38556/ 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—HO hydrogen bond, which closes an S(6) ring. The cation and anion are linked by two N—HO hydrogen bonds [R2 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—HO hydrogen bonds into a tetrameric DDAA array. The tetramers are linked by pairs of C—HO hydrogen bonds to generate [100] chains. Hirshfeld surface and fingerprint plot analyses are presented. International Union of Crystallography 2017 Article PeerReviewed application/pdf en http://eprints.usm.my/38556/1/Crystal_structure_and_Hirshfeld_surface_analysis_of_2-amino-4-methoxy-6-methylpyrimidinium.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. pp. 1305-1307. ISSN 2056-9890 https://doi.org/10.1107/S2056989017011252 |
| 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 |
| 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 | QC1-999 Physics |
| url | http://eprints.usm.my/38556/1/Crystal_structure_and_Hirshfeld_surface_analysis_of_2-amino-4-methoxy-6-methylpyrimidinium.pdf |
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