2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one
In the title compound, C16H13N7O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 A). The attached benzene ring lies almost in the mean plane of 1,2,4-triazolo[1,5-a][1,3,5]triazine [dihedral angle = 1.36 (23) deg], while the pyridine rin...
| Main Authors: | , , , , |
|---|---|
| Format: | Journal Article |
| Published: |
Blackwell Munksgaard
2011
|
| Subjects: | |
| Online Access: | http://hdl.handle.net/20.500.11937/7660 |
| _version_ | 1848745433837338624 |
|---|---|
| author | Dolzhenko, Anton Tan, G. Dolzhenko, A. Koh, L. Chui, W. |
| author_facet | Dolzhenko, Anton Tan, G. Dolzhenko, A. Koh, L. Chui, W. |
| author_sort | Dolzhenko, Anton |
| building | Curtin Institutional Repository |
| collection | Online Access |
| description | In the title compound, C16H13N7O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 A). The attached benzene ring lies almost in the mean plane of 1,2,4-triazolo[1,5-a][1,3,5]triazine [dihedral angle = 1.36 (23) deg], while the pyridine ring is turned out of this plane by the aminomethyl bridge [dihedral angle = 69.22 (9) deg]. The amino group H atom is involved in intramolecular hydrogen bonding with a triazole N atom. In the crystal, molecules are connected via C(=O)NH...N hydrogen bonds into C(11) chains parallel to [100]. The amino group H atom acts as a hydrogen-bond donor, forming an NH...O C hydrogen bond with the carbonyl O atom,which links the molecules into C(6) chains running along [011] and [01-1]. |
| first_indexed | 2025-11-14T06:17:17Z |
| format | Journal Article |
| id | curtin-20.500.11937-7660 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T06:17:17Z |
| publishDate | 2011 |
| publisher | Blackwell Munksgaard |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-76602017-09-13T16:05:52Z 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one Dolzhenko, Anton Tan, G. Dolzhenko, A. Koh, L. Chui, W. X-ray crystallography triazines triazole In the title compound, C16H13N7O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 A). The attached benzene ring lies almost in the mean plane of 1,2,4-triazolo[1,5-a][1,3,5]triazine [dihedral angle = 1.36 (23) deg], while the pyridine ring is turned out of this plane by the aminomethyl bridge [dihedral angle = 69.22 (9) deg]. The amino group H atom is involved in intramolecular hydrogen bonding with a triazole N atom. In the crystal, molecules are connected via C(=O)NH...N hydrogen bonds into C(11) chains parallel to [100]. The amino group H atom acts as a hydrogen-bond donor, forming an NH...O C hydrogen bond with the carbonyl O atom,which links the molecules into C(6) chains running along [011] and [01-1]. 2011 Journal Article http://hdl.handle.net/20.500.11937/7660 10.1107/S1600536810051032 Blackwell Munksgaard fulltext |
| spellingShingle | X-ray crystallography triazines triazole Dolzhenko, Anton Tan, G. Dolzhenko, A. Koh, L. Chui, W. 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one |
| title | 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one |
| title_full | 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one |
| title_fullStr | 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one |
| title_full_unstemmed | 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one |
| title_short | 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one |
| title_sort | 2-phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4h)-one |
| topic | X-ray crystallography triazines triazole |
| url | http://hdl.handle.net/20.500.11937/7660 |