2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate
In the title molecular salt, C4H6ClN4+.C5H7O4 -, the cation is essentially planar, with a maximum deviation of 0.037 (1) A ° for all non-H atoms. The anions are self-assembled through O—H...O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). In the crystal, the pro...
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2014
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| Online Access: | http://eprints.usm.my/37941/ http://eprints.usm.my/37941/1/2%2C6-Diamino-4-chloropyrimidinium.pdf |
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| author | Edison, Bellarmin Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul |
| author_facet | Edison, Bellarmin Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul |
| author_sort | Edison, Bellarmin |
| building | USM Institutional Repository |
| collection | Online Access |
| description | In the title molecular salt, C4H6ClN4+.C5H7O4
-, the cation is essentially planar, with a maximum deviation of 0.037 (1) A ° for all non-H atoms. The anions are self-assembled through O—H...O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N—H...O hydrogen bonds with an R2 2(8) ring motif. This motif further self-organizes through N—H...O and O—H...O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R3 2(8), R2 2(8), R4 2(8), R2 2(8) and R3 2(8). In addition, another type of R2 2(8) motif is formed by inversion-related pyrimidinium cations via N—H...N hydrogen bonds, forming a two-dimensional network parallel to (101). |
| first_indexed | 2025-11-15T17:29:36Z |
| format | Article |
| id | usm-37941 |
| institution | Universiti Sains Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T17:29:36Z |
| publishDate | 2014 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | usm-379412018-08-15T04:29:04Z http://eprints.usm.my/37941/ 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate Edison, Bellarmin Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul QC1-999 Physics In the title molecular salt, C4H6ClN4+.C5H7O4 -, the cation is essentially planar, with a maximum deviation of 0.037 (1) A ° for all non-H atoms. The anions are self-assembled through O—H...O hydrogen bonds, forming a supramolecular zigzag chain with graph-set notation C(8). In the crystal, the protonated N atom and the 2-amino group of the cation are hydrogen bonded to the carboxylate O atoms of the anion via a pair of N—H...O hydrogen bonds with an R2 2(8) ring motif. This motif further self-organizes through N—H...O and O—H...O hydrogen bonds, generating an array of six hydrogen bonds, the rings having graph-set notation R3 2(8), R2 2(8), R4 2(8), R2 2(8) and R3 2(8). In addition, another type of R2 2(8) motif is formed by inversion-related pyrimidinium cations via N—H...N hydrogen bonds, forming a two-dimensional network parallel to (101). International Union of Crystallography 2014 Article PeerReviewed application/pdf en http://eprints.usm.my/37941/1/2%2C6-Diamino-4-chloropyrimidinium.pdf Edison, Bellarmin and Balasubramani, Kasthuri and Thanigaimani, Kaliyaperumal and Khalib, Nuridayanti Che and Arshad, Suhana and Razak, Ibrahim Abdul (2014) 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate. Acta Crystallographica Section E, 2014 (70). 0857-0865. ISSN 1600-5368 https://doi.org/10.1107/S1600536814015220 |
| spellingShingle | QC1-999 Physics Edison, Bellarmin Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Khalib, Nuridayanti Che Arshad, Suhana Razak, Ibrahim Abdul 2,6-Diamino-4-chloropyrimidinium 4-carboxybutanoate |
| title | 2,6-Diamino-4-chloropyrimidinium
4-carboxybutanoate |
| title_full | 2,6-Diamino-4-chloropyrimidinium
4-carboxybutanoate |
| title_fullStr | 2,6-Diamino-4-chloropyrimidinium
4-carboxybutanoate |
| title_full_unstemmed | 2,6-Diamino-4-chloropyrimidinium
4-carboxybutanoate |
| title_short | 2,6-Diamino-4-chloropyrimidinium
4-carboxybutanoate |
| title_sort | 2,6-diamino-4-chloropyrimidinium
4-carboxybutanoate |
| topic | QC1-999 Physics |
| url | http://eprints.usm.my/37941/ http://eprints.usm.my/37941/ http://eprints.usm.my/37941/1/2%2C6-Diamino-4-chloropyrimidinium.pdf |