Dimethyl 1-(2-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate

In the mol­ecule of the title compound, C(15)H(13)N(3)O(4), the dihedral angle between the pyrazole and benzene rings is 79.89 (6)°. An intra­molecular C—H⋯O hydrogen bond is present. The crystal structure is stabilized by π–π stacking inter­actions between centrosymmetrically related pyrazole rings...

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Detalles Bibliográficos
Autores principales: Yao, Ji-Yuan, Xiao, Jie, Zhao, Hong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977824/
https://www.ncbi.nlm.nih.gov/pubmed/21583961
http://dx.doi.org/10.1107/S1600536809015153
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author Yao, Ji-Yuan
Xiao, Jie
Zhao, Hong
author_facet Yao, Ji-Yuan
Xiao, Jie
Zhao, Hong
author_sort Yao, Ji-Yuan
collection PubMed
description In the mol­ecule of the title compound, C(15)H(13)N(3)O(4), the dihedral angle between the pyrazole and benzene rings is 79.89 (6)°. An intra­molecular C—H⋯O hydrogen bond is present. The crystal structure is stabilized by π–π stacking inter­actions between centrosymmetrically related pyrazole rings with a centroid–centroid distance of 3.500 (3) Å.
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spelling pubmed-29778242010-12-30 Dimethyl 1-(2-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate Yao, Ji-Yuan Xiao, Jie Zhao, Hong Acta Crystallogr Sect E Struct Rep Online Organic Papers In the mol­ecule of the title compound, C(15)H(13)N(3)O(4), the dihedral angle between the pyrazole and benzene rings is 79.89 (6)°. An intra­molecular C—H⋯O hydrogen bond is present. The crystal structure is stabilized by π–π stacking inter­actions between centrosymmetrically related pyrazole rings with a centroid–centroid distance of 3.500 (3) Å. International Union of Crystallography 2009-04-30 /pmc/articles/PMC2977824/ /pubmed/21583961 http://dx.doi.org/10.1107/S1600536809015153 Text en © Yao et al. 2009 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
Yao, Ji-Yuan
Xiao, Jie
Zhao, Hong
Dimethyl 1-(2-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title Dimethyl 1-(2-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_full Dimethyl 1-(2-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_fullStr Dimethyl 1-(2-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_full_unstemmed Dimethyl 1-(2-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_short Dimethyl 1-(2-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_sort dimethyl 1-(2-cyano­benz­yl)-1h-pyrazole-3,5-dicarboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977824/
https://www.ncbi.nlm.nih.gov/pubmed/21583961
http://dx.doi.org/10.1107/S1600536809015153
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AT xiaojie dimethyl12cyanobenzyl1hpyrazole35dicarboxylate
AT zhaohong dimethyl12cyanobenzyl1hpyrazole35dicarboxylate

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