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

The asymmetric unit of the title compound, C(8)H(9)N(5)O(2), 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...

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Detalles Bibliográficos
Autores principales: Bai, Xiao-Guang, Feng, Chao
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120607/
https://www.ncbi.nlm.nih.gov/pubmed/25161549
http://dx.doi.org/10.1107/S1600536814012380
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author Bai, Xiao-Guang
Feng, Chao
author_facet Bai, Xiao-Guang
Feng, Chao
author_sort Bai, Xiao-Guang
collection PubMed
description The asymmetric unit of the title compound, C(8)H(9)N(5)O(2), 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.
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spelling pubmed-41206072014-08-26 Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxyl­ate Bai, Xiao-Guang Feng, Chao Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(8)H(9)N(5)O(2), 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. International Union of Crystallography 2014-06-07 /pmc/articles/PMC4120607/ /pubmed/25161549 http://dx.doi.org/10.1107/S1600536814012380 Text en © Bai and Feng 2014 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
Bai, Xiao-Guang
Feng, Chao
Methyl 5-methyl-1-(1H-pyrazol-3-yl)-1H-1,2,3-triazole-4-carboxyl­ate
title 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_short 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
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4120607/
https://www.ncbi.nlm.nih.gov/pubmed/25161549
http://dx.doi.org/10.1107/S1600536814012380
work_keys_str_mv AT baixiaoguang methyl5methyl11hpyrazol3yl1h123triazole4carboxylate
AT fengchao methyl5methyl11hpyrazol3yl1h123triazole4carboxylate

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