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, C14H10F3N7·2CH4O, 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...
Main Authors: | , , , , |
---|---|
Format: | Article |
Language: | English |
Published: |
International Union of Crystallography
2010-07-01
|
Series: | Acta Crystallographica Section E |
Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536810024591 |
id |
doaj-8091337873ce493fb42ec757f65424af |
---|---|
record_format |
Article |
spelling |
doaj-8091337873ce493fb42ec757f65424af2020-11-25T00:31:14ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682010-07-01667o1835o183610.1107/S16005368100245918-Methyl-2-[4-(trifluoromethyl)phenyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvateAnton V. DolzhenkoGeok Kheng TanAnna V. DolzhenkoLip Lin KohGiorgia PastorinIn the title compound, C14H10F3N7·2CH4O, 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 R22(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 R44(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]. http://scripts.iucr.org/cgi-bin/paper?S1600536810024591 |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Anton V. Dolzhenko Geok Kheng Tan Anna V. Dolzhenko Lip Lin Koh Giorgia Pastorin |
spellingShingle |
Anton V. Dolzhenko Geok Kheng Tan Anna V. Dolzhenko Lip Lin Koh Giorgia Pastorin 8-Methyl-2-[4-(trifluoromethyl)phenyl]-8H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate Acta Crystallographica Section E |
author_facet |
Anton V. Dolzhenko Geok Kheng Tan Anna V. Dolzhenko Lip Lin Koh Giorgia Pastorin |
author_sort |
Anton V. Dolzhenko |
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_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_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_sort |
8-methyl-2-[4-(trifluoromethyl)phenyl]-8h-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine methanol disolvate |
publisher |
International Union of Crystallography |
series |
Acta Crystallographica Section E |
issn |
1600-5368 |
publishDate |
2010-07-01 |
description |
In the title compound, C14H10F3N7·2CH4O, 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 R22(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 R44(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]. |
url |
http://scripts.iucr.org/cgi-bin/paper?S1600536810024591 |
work_keys_str_mv |
AT antonvdolzhenko 8methyl24trifluoromethylphenyl8hpyrazolo43e124triazolo15cpyrimidin5aminemethanoldisolvate AT geokkhengtan 8methyl24trifluoromethylphenyl8hpyrazolo43e124triazolo15cpyrimidin5aminemethanoldisolvate AT annavdolzhenko 8methyl24trifluoromethylphenyl8hpyrazolo43e124triazolo15cpyrimidin5aminemethanoldisolvate AT liplinkoh 8methyl24trifluoromethylphenyl8hpyrazolo43e124triazolo15cpyrimidin5aminemethanoldisolvate AT giorgiapastorin 8methyl24trifluoromethylphenyl8hpyrazolo43e124triazolo15cpyrimidin5aminemethanoldisolvate |
_version_ |
1725322970880016384 |