(1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl­propano­ate

In the title compound, C(12)H(15)N(3)O(2), the dihedral angle between the mean planes of the benzene and triazole rings is 0.331 (53) °. The side chain of the pivalate unit forms a dihedral angle of 69.04 (12)° with the benzotriazole unit. The ester group and two methyl groups of the pivalate unit a...

Descripción completa

Detalles Bibliográficos
Autores principales: Xu, Sen, Shen, Yingzhong
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344024/
https://www.ncbi.nlm.nih.gov/pubmed/22589933
http://dx.doi.org/10.1107/S1600536812010252
_version_ 1782231898317127680
author Xu, Sen
Shen, Yingzhong
author_facet Xu, Sen
Shen, Yingzhong
author_sort Xu, Sen
collection PubMed
description In the title compound, C(12)H(15)N(3)O(2), the dihedral angle between the mean planes of the benzene and triazole rings is 0.331 (53) °. The side chain of the pivalate unit forms a dihedral angle of 69.04 (12)° with the benzotriazole unit. The ester group and two methyl groups of the pivalate unit are disordered with an occupancy ratio of 0.731 (3):0.269 (3). In the crystal, weak π–π stacking inter­actions are observed between inversion-related benzene rings [centroid–centroid distance = 3.9040 (1) Å].
format Online
Article
Text
id pubmed-3344024
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33440242012-05-15 (1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl­propano­ate Xu, Sen Shen, Yingzhong Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(15)N(3)O(2), the dihedral angle between the mean planes of the benzene and triazole rings is 0.331 (53) °. The side chain of the pivalate unit forms a dihedral angle of 69.04 (12)° with the benzotriazole unit. The ester group and two methyl groups of the pivalate unit are disordered with an occupancy ratio of 0.731 (3):0.269 (3). In the crystal, weak π–π stacking inter­actions are observed between inversion-related benzene rings [centroid–centroid distance = 3.9040 (1) Å]. International Union of Crystallography 2012-03-14 /pmc/articles/PMC3344024/ /pubmed/22589933 http://dx.doi.org/10.1107/S1600536812010252 Text en © Xu and Shen 2012 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
Xu, Sen
Shen, Yingzhong
(1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl­propano­ate
title (1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl­propano­ate
title_full (1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl­propano­ate
title_fullStr (1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl­propano­ate
title_full_unstemmed (1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl­propano­ate
title_short (1H-1,2,3-Benzotriazol-1-yl)methyl 2,2-dimethyl­propano­ate
title_sort (1h-1,2,3-benzotriazol-1-yl)methyl 2,2-dimethyl­propano­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344024/
https://www.ncbi.nlm.nih.gov/pubmed/22589933
http://dx.doi.org/10.1107/S1600536812010252
work_keys_str_mv AT xusen 1h123benzotriazol1ylmethyl22dimethylpropanoate
AT shenyingzhong 1h123benzotriazol1ylmethyl22dimethylpropanoate

Ejemplares similares