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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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International Union of Crystallography
2009-06-01
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| Series: | Acta Crystallographica Section E |
| Online Access: | http://scripts.iucr.org/cgi-bin/paper?S1600536809017000 |
| _version_ | 1819104836363223040 |
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| author | Zheng Tang Xiao-Ling Ding Yong-Sheng Xie Bao-Xiang Zhao |
| author_facet | Zheng Tang Xiao-Ling Ding Yong-Sheng Xie Bao-Xiang Zhao |
| author_sort | Zheng Tang |
| collection | DOAJ |
| 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. |
| first_indexed | 2024-12-22T02:12:41Z |
| format | Article |
| id | doaj.art-9991372543c14c9a9f0c50c61b59ee54 |
| institution | Directory Open Access Journal |
| issn | 1600-5368 |
| language | English |
| last_indexed | 2024-12-22T02:12:41Z |
| publishDate | 2009-06-01 |
| publisher | International Union of Crystallography |
| record_format | Article |
| series | Acta Crystallographica Section E |
| spelling | doaj.art-9991372543c14c9a9f0c50c61b59ee542022-12-21T18:42:21ZengInternational 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 |
| 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 |
| title | 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_short | 1-(4-tert-Butylbenzyl)-3-phenyl-1H-pyrazole-5-carboxylic acid |
| title_sort | 1 4 tert butylbenzyl 3 phenyl 1h pyrazole 5 carboxylic acid |
| 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 |