Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate

Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate

The asymmetric unit of the title compound, C8H9N5O2, contains two independent molecules (A and B) in which the dihedral angles between the triazole and pyrazole rings are 4.80 (14) and 8.45 (16)°. In the crystal, molecules are linked by N—H...N hydrogen bonds into supramolecular independent A and B...

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Main Authors: Xiao-Guang Bai, Chao Feng
Format: Article
Language:English
Published: International Union of Crystallography 2014-07-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536814012380
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spelling doaj-17fe5435478c480b907ff73ed39900852020-11-24T21:25:44ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682014-07-01707o755o75510.1107/S1600536814012380xu5793Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylateXiao-Guang Bai0Chao Feng1Institute of Medicinal Biotechnology, Chinese Academy of Medical Sciences and Peking Union Medical College, Beijing 100050, People's Republic of ChinaSchool of Chemistry and Chemical Engineering, Southeast University, Nanjing 210096, People's Republic of ChinaThe asymmetric unit of the title compound, C8H9N5O2, contains two independent molecules (A and B) in which the dihedral angles between the triazole and pyrazole rings are 4.80 (14) and 8.45 (16)°. In the crystal, molecules are linked by N—H...N hydrogen bonds into supramolecular independent A and B chains propagating along the b-axis direction. The crystal structure also features π–π stacking between the aromatic rings of adjacent chains, the centroid–centroid separations being 3.8001 (15), 3.8078 (17), 3.8190 (14) and 3.8421 (15) Å.http://scripts.iucr.org/cgi-bin/paper?S1600536814012380
collection DOAJ
language English
format Article
sources DOAJ
author Xiao-Guang Bai
Chao Feng
spellingShingle Xiao-Guang Bai
Chao Feng
Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
Acta Crystallographica Section E
author_facet Xiao-Guang Bai
Chao Feng
author_sort Xiao-Guang Bai
title Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
title_short Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
title_full Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
title_fullStr Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
title_full_unstemmed Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxylate
title_sort methyl 5-methyl-1-(1h-pyrazol-3-yl)-1h-1,2,3-triazole-4-carboxylate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2014-07-01
description The asymmetric unit of the title compound, C8H9N5O2, contains two independent molecules (A and B) in which the dihedral angles between the triazole and pyrazole rings are 4.80 (14) and 8.45 (16)°. In the crystal, molecules are linked by N—H...N hydrogen bonds into supramolecular independent A and B chains propagating along the b-axis direction. The crystal structure also features π–π stacking between the aromatic rings of adjacent chains, the centroid–centroid separations being 3.8001 (15), 3.8078 (17), 3.8190 (14) and 3.8421 (15) Å.
url http://scripts.iucr.org/cgi-bin/paper?S1600536814012380
work_keys_str_mv AT xiaoguangbai methyl5methyl11hpyrazol3yl1h123triazole4carboxylate
AT chaofeng methyl5methyl11hpyrazol3yl1h123triazole4carboxylate
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