6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1)
In the title molecular salt, C5H9N4+.C13H10NO2-.C5H8N4, the asymmetric unit consists of a 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium cation, a 2-anilinobenzoate anion and a neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecule. The typical intramolecular N...H—O hydrogen bond is observed in the 2-anil...
| Main Authors: | , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
International Union of Crystallography
2017
|
| Subjects: | |
| Online Access: | http://eprints.usm.my/37971/ http://eprints.usm.my/37971/1/6-Amino-3%2C4-dimethyl-1%2C2%2C4-triazin-1-ium.pdf |
| _version_ | 1848878336220069888 |
|---|---|
| author | Sangeetha, Ramalingam Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Razak, Ibrahim Abdul |
| author_facet | Sangeetha, Ramalingam Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Razak, Ibrahim Abdul |
| author_sort | Sangeetha, Ramalingam |
| building | USM Institutional Repository |
| collection | Online Access |
| description | In the title molecular salt, C5H9N4+.C13H10NO2-.C5H8N4, the asymmetric unit consists of a 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium cation, a 2-anilinobenzoate anion and a neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecule.
The typical intramolecular N...H—O hydrogen bond is observed in the 2-anilinobenzoate anion. In the crystal, the protonated N atom and the 3-amino group are hydrogen bonded to the carboxylate oxygen atoms via a pair of N—
H...O hydrogen bonds, forming an R2/2 (8) ring motif. These motifs are further linked with adjacent neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecules by N—H...O and N—H...N hydrogen bonds to produce centrosymmetric sixmembered units, enclosing R2/2(8) and R3/4(9) ring motifs. They are reinforced by a C—H...N hydrogen bond and stack up the b-axis direction. |
| first_indexed | 2025-11-15T17:29:43Z |
| format | Article |
| id | usm-37971 |
| institution | Universiti Sains Malaysia |
| institution_category | Local University |
| language | English |
| last_indexed | 2025-11-15T17:29:43Z |
| publishDate | 2017 |
| publisher | International Union of Crystallography |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | usm-379712018-08-15T04:14:53Z http://eprints.usm.my/37971/ 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) Sangeetha, Ramalingam Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Razak, Ibrahim Abdul QC1-999 Physics In the title molecular salt, C5H9N4+.C13H10NO2-.C5H8N4, the asymmetric unit consists of a 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium cation, a 2-anilinobenzoate anion and a neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecule. The typical intramolecular N...H—O hydrogen bond is observed in the 2-anilinobenzoate anion. In the crystal, the protonated N atom and the 3-amino group are hydrogen bonded to the carboxylate oxygen atoms via a pair of N— H...O hydrogen bonds, forming an R2/2 (8) ring motif. These motifs are further linked with adjacent neutral 3-amino-5,6-dimethyl-1,2,4-triazine molecules by N—H...O and N—H...N hydrogen bonds to produce centrosymmetric sixmembered units, enclosing R2/2(8) and R3/4(9) ring motifs. They are reinforced by a C—H...N hydrogen bond and stack up the b-axis direction. International Union of Crystallography 2017 Article PeerReviewed application/pdf en http://eprints.usm.my/37971/1/6-Amino-3%2C4-dimethyl-1%2C2%2C4-triazin-1-ium.pdf Sangeetha, Ramalingam and Balasubramani, Kasthuri and Thanigaimani, Kaliyaperumal and Razak, Ibrahim Abdul (2017) 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1). IUCrData, 2017 (2). pp. 1-9. ISSN 2414-3146 https://doi.org/10.1107/S241431461700829X |
| spellingShingle | QC1-999 Physics Sangeetha, Ramalingam Balasubramani, Kasthuri Thanigaimani, Kaliyaperumal Razak, Ibrahim Abdul 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
| title | 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
| title_full | 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
| title_fullStr | 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
| title_full_unstemmed | 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
| title_short | 6-Amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
| title_sort | 6-amino-3,4-dimethyl-1,2,4-triazin-1-ium 2-anilinobenzoate–3-amino-5,6-dimethyl-1,2,4-triazine (1/1) |
| topic | QC1-999 Physics |
| url | http://eprints.usm.my/37971/ http://eprints.usm.my/37971/ http://eprints.usm.my/37971/1/6-Amino-3%2C4-dimethyl-1%2C2%2C4-triazin-1-ium.pdf |