Ethyl 5-methyl-1-(4-nitro­phen­yl)-1H-1,2,3-triazole-4-carboxyl­ate

In the title compound, C(12)H(12)N(4)O(4), the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93 (5) and 8.97 (12)°, respectively, with the phenyl ring. The mol­ecular structure is stabilized by an intra­molecular C—H⋯O hydrogen bond, which generates an S(6) ring motif. In the cr...

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Detalles Bibliográficos
Autores principales: Fun, Hoong-Kun, Quah, Ching Kheng, Nithinchandra, Kalluraya, Balakrishna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200591/
https://www.ncbi.nlm.nih.gov/pubmed/22059001
http://dx.doi.org/10.1107/S1600536811033940
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author Fun, Hoong-Kun
Quah, Ching Kheng
Nithinchandra,
Kalluraya, Balakrishna
author_facet Fun, Hoong-Kun
Quah, Ching Kheng
Nithinchandra,
Kalluraya, Balakrishna
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(12)H(12)N(4)O(4), the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93 (5) and 8.97 (12)°, respectively, with the phenyl ring. The mol­ecular structure is stabilized by an intra­molecular C—H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds into layers lying parallel to (100). The crystal structure is further consolidated by π–π [centroid–centroid distance = 3.6059 (6) Å] inter­actions.
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spelling pubmed-32005912011-11-06 Ethyl 5-methyl-1-(4-nitro­phen­yl)-1H-1,2,3-triazole-4-carboxyl­ate Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(12)N(4)O(4), the 1,2,3-triazole ring and the nitro group form dihedral angles of 37.93 (5) and 8.97 (12)°, respectively, with the phenyl ring. The mol­ecular structure is stabilized by an intra­molecular C—H⋯O hydrogen bond, which generates an S(6) ring motif. In the crystal, mol­ecules are linked by C—H⋯N hydrogen bonds into layers lying parallel to (100). The crystal structure is further consolidated by π–π [centroid–centroid distance = 3.6059 (6) Å] inter­actions. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200591/ /pubmed/22059001 http://dx.doi.org/10.1107/S1600536811033940 Text en © Fun et al. 2011 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
Fun, Hoong-Kun
Quah, Ching Kheng
Nithinchandra,
Kalluraya, Balakrishna
Ethyl 5-methyl-1-(4-nitro­phen­yl)-1H-1,2,3-triazole-4-carboxyl­ate
title Ethyl 5-methyl-1-(4-nitro­phen­yl)-1H-1,2,3-triazole-4-carboxyl­ate
title_full Ethyl 5-methyl-1-(4-nitro­phen­yl)-1H-1,2,3-triazole-4-carboxyl­ate
title_fullStr Ethyl 5-methyl-1-(4-nitro­phen­yl)-1H-1,2,3-triazole-4-carboxyl­ate
title_full_unstemmed Ethyl 5-methyl-1-(4-nitro­phen­yl)-1H-1,2,3-triazole-4-carboxyl­ate
title_short Ethyl 5-methyl-1-(4-nitro­phen­yl)-1H-1,2,3-triazole-4-carboxyl­ate
title_sort ethyl 5-methyl-1-(4-nitro­phen­yl)-1h-1,2,3-triazole-4-carboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200591/
https://www.ncbi.nlm.nih.gov/pubmed/22059001
http://dx.doi.org/10.1107/S1600536811033940
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AT nithinchandra ethyl5methyl14nitrophenyl1h123triazole4carboxylate
AT kallurayabalakrishna ethyl5methyl14nitrophenyl1h123triazole4carboxylate

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