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2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one
In the title compound, C(16)H(13)N(7)O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 Å). 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)°], while the pyridine...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050179/ https://www.ncbi.nlm.nih.gov/pubmed/21522795 http://dx.doi.org/10.1107/S1600536810051032 |
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author | Dolzhenko, Anton V. Tan, Geok Kheng Dolzhenko, Anna V. Koh, Lip Lin Chui, Wai Keung |
author_facet | Dolzhenko, Anton V. Tan, Geok Kheng Dolzhenko, Anna V. Koh, Lip Lin Chui, Wai Keung |
author_sort | Dolzhenko, Anton V. |
collection | PubMed |
description | In the title compound, C(16)H(13)N(7)O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 Å). 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)°], while the pyridine ring is turned out of this plane by the aminomethyl bridge [dihedral angle = 69.22 (9)°]. 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[Image: see text]]. |
format | Text |
id | pubmed-3050179 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30501792011-04-26 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one Dolzhenko, Anton V. Tan, Geok Kheng Dolzhenko, Anna V. Koh, Lip Lin Chui, Wai Keung Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(16)H(13)N(7)O, the 1,2,4-triazolo[1,5-a][1,3,5]triazine heterocyclic system is essentially planar (r.m.s. deviation = 0.0375 Å). 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)°], while the pyridine ring is turned out of this plane by the aminomethyl bridge [dihedral angle = 69.22 (9)°]. 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[Image: see text]]. International Union of Crystallography 2010-12-11 /pmc/articles/PMC3050179/ /pubmed/21522795 http://dx.doi.org/10.1107/S1600536810051032 Text en © Dolzhenko et al. 2011 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Dolzhenko, Anton V. Tan, Geok Kheng Dolzhenko, Anna V. Koh, Lip Lin Chui, Wai Keung 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
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title_full | 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one
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title_fullStr | 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one
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title_full_unstemmed | 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one
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title_short | 2-Phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4H)-one
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title_sort | 2-phenyl-7-(4-pyridylmethylamino)-1,2,4-triazolo[1,5-a][1,3,5]triazin-5(4h)-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3050179/ https://www.ncbi.nlm.nih.gov/pubmed/21522795 http://dx.doi.org/10.1107/S1600536810051032 |
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