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8-Methyl-2-[4-(trifluoro­meth­yl)phen­yl]-8H-pyrazolo­[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate

In the title compound, C(14)H(10)F(3)N(7)·2CH(4)O, the heterocyclic ring system is essentially planar (r.m.s. deviation = 0.009 Å) and makes a dihedral angle of 6.91 (8)° with the attached benzene ring. In the crystal, the main mol­ecules form centrosymmetric R (2) (2)(8) dimers via pairs of N—H⋯N h...

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Autores principales: Dolzhenko, Anton V., Tan, Geok Kheng, Dolzhenko, Anna V., Koh, Lip Lin, Pastorin, Giorgia
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007048/
https://www.ncbi.nlm.nih.gov/pubmed/21588038
http://dx.doi.org/10.1107/S1600536810024591
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author Dolzhenko, Anton V.
Tan, Geok Kheng
Dolzhenko, Anna V.
Koh, Lip Lin
Pastorin, Giorgia
author_facet Dolzhenko, Anton V.
Tan, Geok Kheng
Dolzhenko, Anna V.
Koh, Lip Lin
Pastorin, Giorgia
author_sort Dolzhenko, Anton V.
collection PubMed
description In the title compound, C(14)H(10)F(3)N(7)·2CH(4)O, the heterocyclic ring system is essentially planar (r.m.s. deviation = 0.009 Å) and makes a dihedral angle of 6.91 (8)° with the attached benzene ring. In the crystal, the main mol­ecules form centrosymmetric R (2) (2)(8) dimers via pairs of N—H⋯N hydrogen bonds between the amino groups and pyrimidine N atoms. One of the independent methanol mol­ecules and its inversion equivalent are linked to the dimers via O—H⋯N and N—H⋯O hydrogen bonds, forming R (4) (4)(16) graph-set motifs. The dimers along with the hydrogen-bonded methanol mol­ecules are stacked along the a axis, with π–π inter­actions between the pyrazole and triazole rings [centroid–centroid distance = 3.4953 (10) Å].
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spelling pubmed-30070482010-12-30 8-Methyl-2-[4-(trifluoro­meth­yl)phen­yl]-8H-pyrazolo­[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate Dolzhenko, Anton V. Tan, Geok Kheng Dolzhenko, Anna V. Koh, Lip Lin Pastorin, Giorgia Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(10)F(3)N(7)·2CH(4)O, the heterocyclic ring system is essentially planar (r.m.s. deviation = 0.009 Å) and makes a dihedral angle of 6.91 (8)° with the attached benzene ring. In the crystal, the main mol­ecules form centrosymmetric R (2) (2)(8) dimers via pairs of N—H⋯N hydrogen bonds between the amino groups and pyrimidine N atoms. One of the independent methanol mol­ecules and its inversion equivalent are linked to the dimers via O—H⋯N and N—H⋯O hydrogen bonds, forming R (4) (4)(16) graph-set motifs. The dimers along with the hydrogen-bonded methanol mol­ecules are stacked along the a axis, with π–π inter­actions between the pyrazole and triazole rings [centroid–centroid distance = 3.4953 (10) Å]. International Union of Crystallography 2010-06-26 /pmc/articles/PMC3007048/ /pubmed/21588038 http://dx.doi.org/10.1107/S1600536810024591 Text en © Dolzhenko et al. 2010 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
Pastorin, Giorgia
8-Methyl-2-[4-(trifluoro­meth­yl)phen­yl]-8H-pyrazolo­[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate
title 8-Methyl-2-[4-(trifluoro­meth­yl)phen­yl]-8H-pyrazolo­[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate
title_full 8-Methyl-2-[4-(trifluoro­meth­yl)phen­yl]-8H-pyrazolo­[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate
title_fullStr 8-Methyl-2-[4-(trifluoro­meth­yl)phen­yl]-8H-pyrazolo­[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate
title_full_unstemmed 8-Methyl-2-[4-(trifluoro­meth­yl)phen­yl]-8H-pyrazolo­[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate
title_short 8-Methyl-2-[4-(trifluoro­meth­yl)phen­yl]-8H-pyrazolo­[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate
title_sort 8-methyl-2-[4-(trifluoro­meth­yl)phen­yl]-8h-pyrazolo­[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3007048/
https://www.ncbi.nlm.nih.gov/pubmed/21588038
http://dx.doi.org/10.1107/S1600536810024591
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