2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate
In the title hydrated molecular salt, C6H9N2+·C8H7O3−·2H2O, the cation is protonated at the pyridine N atom. The cation and anion are linked by a pair of N—H...O hydrogen bonds, which generates an R22(8) loop, and the dihedral angle between their ring planes is 16.07 (14)°. The ion pairs are linked...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2017-05-01
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| Series: | IUCrData |
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| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S2414314617006496 |
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| author | P. Sivakumar G. Ezhamani S. Israel G. Chakkaravarthi |
| author_facet | P. Sivakumar G. Ezhamani S. Israel G. Chakkaravarthi |
| author_sort | P. Sivakumar |
| collection | DOAJ |
| description | In the title hydrated molecular salt, C6H9N2+·C8H7O3−·2H2O, the cation is protonated at the pyridine N atom. The cation and anion are linked by a pair of N—H...O hydrogen bonds, which generates an R22(8) loop, and the dihedral angle between their ring planes is 16.07 (14)°. The ion pairs are linked by O—H...O hydrogen bonds involving the water molecules, generating a three-dimensional network. Weak C—H...O and aromatic π–π stacking [centroid-to-centroid distance = 3.5874 (17) Å] interactions are also observed. |
| first_indexed | 2024-04-13T13:39:50Z |
| format | Article |
| id | doaj.art-460041a4ecb34a30920192a62be4efa0 |
| institution | Directory Open Access Journal |
| issn | 2414-3146 |
| language | English |
| last_indexed | 2024-04-13T13:39:50Z |
| publishDate | 2017-05-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | IUCrData |
| spelling | doaj.art-460041a4ecb34a30920192a62be4efa02022-12-22T02:44:40ZengInternational Union of CrystallographyIUCrData2414-31462017-05-0125x17064910.1107/S2414314617006496hb41402-Amino-4-methylpyridinium 4-methoxybenzoate dihydrateP. Sivakumar0G. Ezhamani1S. Israel2G. Chakkaravarthi3Research and Development Centre, Bharathiar University, Coimbatore 641 046, IndiaPost Graduate and Research Department of Physics, Govt Arts College for Men, Nandanam, Chennai 600 025, IndiaPost Graduate and Research Department of Physics, The American College, Madurai 625 002, IndiaDepartment of Physics, CPCL Polytechnic College, Chennai 600 068, IndiaIn the title hydrated molecular salt, C6H9N2+·C8H7O3−·2H2O, the cation is protonated at the pyridine N atom. The cation and anion are linked by a pair of N—H...O hydrogen bonds, which generates an R22(8) loop, and the dihedral angle between their ring planes is 16.07 (14)°. The ion pairs are linked by O—H...O hydrogen bonds involving the water molecules, generating a three-dimensional network. Weak C—H...O and aromatic π–π stacking [centroid-to-centroid distance = 3.5874 (17) Å] interactions are also observed.http://scripts.iucr.org/cgi-bin/paper?S2414314617006496crystal structuremolecular salthydrogen bonding |
| spellingShingle | P. Sivakumar G. Ezhamani S. Israel G. Chakkaravarthi 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate IUCrData crystal structure molecular salt hydrogen bonding |
| title | 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate |
| title_full | 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate |
| title_fullStr | 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate |
| title_full_unstemmed | 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate |
| title_short | 2-Amino-4-methylpyridinium 4-methoxybenzoate dihydrate |
| title_sort | 2 amino 4 methylpyridinium 4 methoxybenzoate dihydrate |
| topic | crystal structure molecular salt hydrogen bonding |
| url | http://scripts.iucr.org/cgi-bin/paper?S2414314617006496 |
| work_keys_str_mv | AT psivakumar 2amino4methylpyridinium4methoxybenzoatedihydrate AT gezhamani 2amino4methylpyridinium4methoxybenzoatedihydrate AT sisrael 2amino4methylpyridinium4methoxybenzoatedihydrate AT gchakkaravarthi 2amino4methylpyridinium4methoxybenzoatedihydrate |