Ethyl 2-[1-(3-methyl­but­yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo­acetate

In the title compound, C(17)H(21)N(3)O(3), the non-planar (r.m.s. deviation = 0.212 Å) ethyl (oxo)acetate group is oriented towards the phenyl substituent. The triazole and benzene rings are twisted with respect to each other, making a dihedral angle of 41.69 (6)°. In the crystal, mol­ecules are arr...

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Autores principales: Ahmed, Muhammad Naeem, Yasin, Khawaja Ansar, Tahir, M. Nawaz, Hafeez, Muhammad, Aziz, Shahid
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885041/
https://www.ncbi.nlm.nih.gov/pubmed/24454217
http://dx.doi.org/10.1107/S1600536813030420
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author Ahmed, Muhammad Naeem
Yasin, Khawaja Ansar
Tahir, M. Nawaz
Hafeez, Muhammad
Aziz, Shahid
author_facet Ahmed, Muhammad Naeem
Yasin, Khawaja Ansar
Tahir, M. Nawaz
Hafeez, Muhammad
Aziz, Shahid
author_sort Ahmed, Muhammad Naeem
collection PubMed
description In the title compound, C(17)H(21)N(3)O(3), the non-planar (r.m.s. deviation = 0.212 Å) ethyl (oxo)acetate group is oriented towards the phenyl substituent. The triazole and benzene rings are twisted with respect to each other, making a dihedral angle of 41.69 (6)°. In the crystal, mol­ecules are arranged into centrosymmetric R (2) (2)(10) dimers via pairs of C—H⋯O inter­actions involving the ethyl (oxo)acetate groups. In addition, the triazole rings show π–π stacking inter­actions, with their centroids at a distance of 3.745 (2) Å.
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spelling pubmed-38850412014-01-17 Ethyl 2-[1-(3-methyl­but­yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo­acetate Ahmed, Muhammad Naeem Yasin, Khawaja Ansar Tahir, M. Nawaz Hafeez, Muhammad Aziz, Shahid Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(21)N(3)O(3), the non-planar (r.m.s. deviation = 0.212 Å) ethyl (oxo)acetate group is oriented towards the phenyl substituent. The triazole and benzene rings are twisted with respect to each other, making a dihedral angle of 41.69 (6)°. In the crystal, mol­ecules are arranged into centrosymmetric R (2) (2)(10) dimers via pairs of C—H⋯O inter­actions involving the ethyl (oxo)acetate groups. In addition, the triazole rings show π–π stacking inter­actions, with their centroids at a distance of 3.745 (2) Å. International Union of Crystallography 2013-11-13 /pmc/articles/PMC3885041/ /pubmed/24454217 http://dx.doi.org/10.1107/S1600536813030420 Text en © Ahmed et al. 2013 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
Ahmed, Muhammad Naeem
Yasin, Khawaja Ansar
Tahir, M. Nawaz
Hafeez, Muhammad
Aziz, Shahid
Ethyl 2-[1-(3-methyl­but­yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo­acetate
title Ethyl 2-[1-(3-methyl­but­yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo­acetate
title_full Ethyl 2-[1-(3-methyl­but­yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo­acetate
title_fullStr Ethyl 2-[1-(3-methyl­but­yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo­acetate
title_full_unstemmed Ethyl 2-[1-(3-methyl­but­yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo­acetate
title_short Ethyl 2-[1-(3-methyl­but­yl)-4-phenyl-1H-1,2,3-triazol-5-yl]-2-oxo­acetate
title_sort ethyl 2-[1-(3-methyl­but­yl)-4-phenyl-1h-1,2,3-triazol-5-yl]-2-oxo­acetate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3885041/
https://www.ncbi.nlm.nih.gov/pubmed/24454217
http://dx.doi.org/10.1107/S1600536813030420
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