7-(4-Fluoro­benzyl­amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate

The 1,2,4-triazolo[1,5-a][1,3,5]triazine system in the title compound, C(17)H(14)FN(7)·2CH(3)OH, is essentially planar, with an r.m.s. deviation of 0.0215 Å. The attached phenyl ring lies almost in the mean plane of the heterocyclic core [dihedral angle = 3.56 (4)°]. In the crystal, centrosymmetric...

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Autores principales: Dolzhenko, Anton V., Tan, Geok Kheng, Koh, Lip Lin, Dolzhenko, Anna V., Chui, Wai Keung
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089080/
https://www.ncbi.nlm.nih.gov/pubmed/21754486
http://dx.doi.org/10.1107/S1600536811014176
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author Dolzhenko, Anton V.
Tan, Geok Kheng
Koh, Lip Lin
Dolzhenko, Anna V.
Chui, Wai Keung
author_facet Dolzhenko, Anton V.
Tan, Geok Kheng
Koh, Lip Lin
Dolzhenko, Anna V.
Chui, Wai Keung
author_sort Dolzhenko, Anton V.
collection PubMed
description The 1,2,4-triazolo[1,5-a][1,3,5]triazine system in the title compound, C(17)H(14)FN(7)·2CH(3)OH, is essentially planar, with an r.m.s. deviation of 0.0215 Å. The attached phenyl ring lies almost in the mean plane of the heterocyclic core [dihedral angle = 3.56 (4)°]. In the crystal, centrosymmetric inversion dimers connected via inter­molecular N—H⋯N hydrogen bonds between H atom of the primary amino group and the triazine N atom [R (2) (2)(8) graph-set motif] form sheets parallel to (010). A second set of dimers connected via N—H⋯F hydrogen bonds between the other H atom of the primary amino group and the F atom forms an R (2) (2)(24) graph-set motif linking the sheets. Methanol solvent mol­ecules are packed in channels running along the [010] direction.
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spelling pubmed-30890802011-07-13 7-(4-Fluoro­benzyl­amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate Dolzhenko, Anton V. Tan, Geok Kheng Koh, Lip Lin Dolzhenko, Anna V. Chui, Wai Keung Acta Crystallogr Sect E Struct Rep Online Organic Papers The 1,2,4-triazolo[1,5-a][1,3,5]triazine system in the title compound, C(17)H(14)FN(7)·2CH(3)OH, is essentially planar, with an r.m.s. deviation of 0.0215 Å. The attached phenyl ring lies almost in the mean plane of the heterocyclic core [dihedral angle = 3.56 (4)°]. In the crystal, centrosymmetric inversion dimers connected via inter­molecular N—H⋯N hydrogen bonds between H atom of the primary amino group and the triazine N atom [R (2) (2)(8) graph-set motif] form sheets parallel to (010). A second set of dimers connected via N—H⋯F hydrogen bonds between the other H atom of the primary amino group and the F atom forms an R (2) (2)(24) graph-set motif linking the sheets. Methanol solvent mol­ecules are packed in channels running along the [010] direction. International Union of Crystallography 2011-04-22 /pmc/articles/PMC3089080/ /pubmed/21754486 http://dx.doi.org/10.1107/S1600536811014176 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
Koh, Lip Lin
Dolzhenko, Anna V.
Chui, Wai Keung
7-(4-Fluoro­benzyl­amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate
title 7-(4-Fluoro­benzyl­amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate
title_full 7-(4-Fluoro­benzyl­amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate
title_fullStr 7-(4-Fluoro­benzyl­amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate
title_full_unstemmed 7-(4-Fluoro­benzyl­amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate
title_short 7-(4-Fluoro­benzyl­amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate
title_sort 7-(4-fluoro­benzyl­amino)-2-phenyl-1,2,4-triazolo[1,5-a][1,3,5]triazin-5-amine methanol disolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089080/
https://www.ncbi.nlm.nih.gov/pubmed/21754486
http://dx.doi.org/10.1107/S1600536811014176
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