1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid

1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid

In the title compound, C21H22N2O2, the mean plane of the pyrazole ring makes dihedral angles of 18.80 (12) and 77.13 (5)°, respectively, with the mean planes of the phenyl and tert-butylbenzyl rings. The carboxylate group is inclined at 8.51 (14...

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Main Authors: Zheng Tang, Xiao-Ling Ding, Yong-Sheng Xie, Bao-Xiang Zhao
Format: Article
Language:English
Published: International Union of Crystallography 2009-06-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809017000
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spelling doaj-9991372543c14c9a9f0c50c61b59ee542020-11-25T00:49:56ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682009-06-01656o1273o127310.1107/S16005368090170001-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acidZheng TangXiao-Ling DingYong-Sheng XieBao-Xiang ZhaoIn the title compound, C21H22N2O2, the mean plane of the pyrazole ring makes dihedral angles of 18.80 (12) and 77.13 (5)°, respectively, with the mean planes of the phenyl and tert-butylbenzyl rings. The carboxylate group is inclined at 8.51 (14)° with respect to the pyrazole ring. The crystal structure displays intermolecular O—H...O hydrogen bonding, generating centrosymmetric dimers. http://scripts.iucr.org/cgi-bin/paper?S1600536809017000
collection DOAJ
language English
format Article
sources DOAJ
author Zheng Tang
Xiao-Ling Ding
Yong-Sheng Xie
Bao-Xiang Zhao
spellingShingle Zheng Tang
Xiao-Ling Ding
Yong-Sheng Xie
Bao-Xiang Zhao
1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
Acta Crystallographica Section E
author_facet Zheng Tang
Xiao-Ling Ding
Yong-Sheng Xie
Bao-Xiang Zhao
author_sort Zheng Tang
title 1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
title_short 1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
title_full 1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
title_fullStr 1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
title_full_unstemmed 1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid
title_sort 1-(4-tert-butylbenzyl)-3-phenyl-1h-pyrazole-5-carboxylic acid
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2009-06-01
description In the title compound, C21H22N2O2, the mean plane of the pyrazole ring makes dihedral angles of 18.80 (12) and 77.13 (5)°, respectively, with the mean planes of the phenyl and tert-butylbenzyl rings. The carboxylate group is inclined at 8.51 (14)° with respect to the pyrazole ring. The crystal structure displays intermolecular O—H...O hydrogen bonding, generating centrosymmetric dimers.
url http://scripts.iucr.org/cgi-bin/paper?S1600536809017000
work_keys_str_mv AT zhengtang 14tertbutylbenzyl3phenyl1hpyrazole5carboxylicacid
AT xiaolingding 14tertbutylbenzyl3phenyl1hpyrazole5carboxylicacid
AT yongshengxie 14tertbutylbenzyl3phenyl1hpyrazole5carboxylicacid
AT baoxiangzhao 14tertbutylbenzyl3phenyl1hpyrazole5carboxylicacid
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