Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate

Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate

The title compound, C15H13N3O4, was synthesized from dimethyl 1H-pyrazole-3,5-dicarboxylate and 4-(bromomethyl)benzonitrile. The interplanar angle between the pyrazole and cyanobenzyl ring planes is 71.74 (17)° and an intramolecular C—H...O interaction occurs...

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Main Authors: Hong Zhao, Jie Xiao
Format: Article
Language:English
Published: International Union of Crystallography 2009-05-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809015578
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spelling doaj-96a576aa604d4e1dbd67dabdf02b9d0e2020-11-25T02:24:30ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-05-01655o1175o117510.1107/S1600536809015578Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylateHong ZhaoJie XiaoThe title compound, C15H13N3O4, was synthesized from dimethyl 1H-pyrazole-3,5-dicarboxylate and 4-(bromomethyl)benzonitrile. The interplanar angle between the pyrazole and cyanobenzyl ring planes is 71.74 (17)° and an intramolecular C—H...O interaction occurs. The crystal structure is stabilized by π–π stacking interactions between the neighbouring pyrazole and benzene rings [centroid–centroid distances of 3.5074 (16) and 3.9401 (15) Å, respectively]. One of the methyl groups is disordered over two positions of equal occupancy. http://scripts.iucr.org/cgi-bin/paper?S1600536809015578
collection DOAJ
language English
format Article
sources DOAJ
author Hong Zhao
Jie Xiao
spellingShingle Hong Zhao
Jie Xiao
Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate
Acta Crystallographica Section E
author_facet Hong Zhao
Jie Xiao
author_sort Hong Zhao
title Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate
title_short Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate
title_full Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate
title_fullStr Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate
title_full_unstemmed Dimethyl 1-(4-cyanobenzyl)-1H-pyrazole-3,5-dicarboxylate
title_sort dimethyl 1-(4-cyanobenzyl)-1h-pyrazole-3,5-dicarboxylate
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-05-01
description The title compound, C15H13N3O4, was synthesized from dimethyl 1H-pyrazole-3,5-dicarboxylate and 4-(bromomethyl)benzonitrile. The interplanar angle between the pyrazole and cyanobenzyl ring planes is 71.74 (17)° and an intramolecular C—H...O interaction occurs. The crystal structure is stabilized by π–π stacking interactions between the neighbouring pyrazole and benzene rings [centroid–centroid distances of 3.5074 (16) and 3.9401 (15) Å, respectively]. One of the methyl groups is disordered over two positions of equal occupancy.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809015578
work_keys_str_mv AT hongzhao dimethyl14cyanobenzyl1hpyrazole35dicarboxylate
AT jiexiao dimethyl14cyanobenzyl1hpyrazole35dicarboxylate
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