Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl­ate

The title mol­ecule, C(5)H(7)N(3)O(2), has an almost planar conformation, with a maximum deviation of 0.043 (3) Å, except for the methyl H atoms. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into layers parallel to the bc plane. Inter­molecular π–π stacking inte...

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Detalles Bibliográficos
Autores principales: Khan, F. Nawaz, Prabakaran, K., Roopan, S. Mohana, Hathwar, Venkatesha R., Akkurt, Mehmet
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979655/
https://www.ncbi.nlm.nih.gov/pubmed/21579536
http://dx.doi.org/10.1107/S1600536810019173
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author Khan, F. Nawaz
Prabakaran, K.
Roopan, S. Mohana
Hathwar, Venkatesha R.
Akkurt, Mehmet
author_facet Khan, F. Nawaz
Prabakaran, K.
Roopan, S. Mohana
Hathwar, Venkatesha R.
Akkurt, Mehmet
author_sort Khan, F. Nawaz
collection PubMed
description The title mol­ecule, C(5)H(7)N(3)O(2), has an almost planar conformation, with a maximum deviation of 0.043 (3) Å, except for the methyl H atoms. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into layers parallel to the bc plane. Inter­molecular π–π stacking inter­actions [centroid–centroid distances = 3.685 (2) and 3.697 (2) Å] are observed between the parallel triazole rings.
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spelling pubmed-29796552010-12-30 Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl­ate Khan, F. Nawaz Prabakaran, K. Roopan, S. Mohana Hathwar, Venkatesha R. Akkurt, Mehmet Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(5)H(7)N(3)O(2), has an almost planar conformation, with a maximum deviation of 0.043 (3) Å, except for the methyl H atoms. In the crystal structure, inter­molecular C—H⋯O hydrogen bonds link the mol­ecules into layers parallel to the bc plane. Inter­molecular π–π stacking inter­actions [centroid–centroid distances = 3.685 (2) and 3.697 (2) Å] are observed between the parallel triazole rings. International Union of Crystallography 2010-05-26 /pmc/articles/PMC2979655/ /pubmed/21579536 http://dx.doi.org/10.1107/S1600536810019173 Text en © Khan 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
Khan, F. Nawaz
Prabakaran, K.
Roopan, S. Mohana
Hathwar, Venkatesha R.
Akkurt, Mehmet
Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl­ate
title Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl­ate
title_full Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl­ate
title_fullStr Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl­ate
title_full_unstemmed Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl­ate
title_short Methyl 1-methyl-1H-1,2,3-triazole-4-carboxyl­ate
title_sort methyl 1-methyl-1h-1,2,3-triazole-4-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979655/
https://www.ncbi.nlm.nih.gov/pubmed/21579536
http://dx.doi.org/10.1107/S1600536810019173
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AT prabakarank methyl1methyl1h123triazole4carboxylate
AT roopansmohana methyl1methyl1h123triazole4carboxylate
AT hathwarvenkateshar methyl1methyl1h123triazole4carboxylate
AT akkurtmehmet methyl1methyl1h123triazole4carboxylate

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