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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...

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Autores principales: Dolzhenko, Anton V., Tan, Geok Kheng, Dolzhenko, Anna V., Koh, Lip Lin, Chui, Wai Keung
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
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]].
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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
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 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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