Dimethyl 1-(3-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 ring planes is 67.7 (1)°. The crystal structure is stabilized by an intra­molecular C—H⋯O hydrogen bond and two weak inter­molecular C—H⋯O inter­actions.

Detalles Bibliográficos
Autores principales: Xiao, Jie, Yao, Ji-Yuan, 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/PMC2977805/
https://www.ncbi.nlm.nih.gov/pubmed/21583942
http://dx.doi.org/10.1107/S1600536809014895
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author Xiao, Jie
Yao, Ji-Yuan
Zhao, Hong
author_facet Xiao, Jie
Yao, Ji-Yuan
Zhao, Hong
author_sort Xiao, Jie
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 ring planes is 67.7 (1)°. The crystal structure is stabilized by an intra­molecular C—H⋯O hydrogen bond and two weak inter­molecular C—H⋯O inter­actions.
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spelling pubmed-29778052010-12-30 Dimethyl 1-(3-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate Xiao, Jie Yao, Ji-Yuan 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 ring planes is 67.7 (1)°. The crystal structure is stabilized by an intra­molecular C—H⋯O hydrogen bond and two weak inter­molecular C—H⋯O inter­actions. International Union of Crystallography 2009-04-25 /pmc/articles/PMC2977805/ /pubmed/21583942 http://dx.doi.org/10.1107/S1600536809014895 Text en © Xiao 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
Xiao, Jie
Yao, Ji-Yuan
Zhao, Hong
Dimethyl 1-(3-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title Dimethyl 1-(3-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_full Dimethyl 1-(3-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_fullStr Dimethyl 1-(3-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_full_unstemmed Dimethyl 1-(3-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_short Dimethyl 1-(3-cyano­benz­yl)-1H-pyrazole-3,5-dicarboxyl­ate
title_sort dimethyl 1-(3-cyano­benz­yl)-1h-pyrazole-3,5-dicarboxyl­ate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2977805/
https://www.ncbi.nlm.nih.gov/pubmed/21583942
http://dx.doi.org/10.1107/S1600536809014895
work_keys_str_mv AT xiaojie dimethyl13cyanobenzyl1hpyrazole35dicarboxylate
AT yaojiyuan dimethyl13cyanobenzyl1hpyrazole35dicarboxylate
AT zhaohong dimethyl13cyanobenzyl1hpyrazole35dicarboxylate

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