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1-(4-tert-Butyl-benz-yl)-3-phenyl-1H-pyrazole-5-carboxylic acid.

ABSTRACT: In the title compound, C(21)H(22)N(2)O(2), 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-butyl-benzyl rings. The carboxylate group is inclined at 8.51?(14)° with respect to the pyrazole ring. The crystal structure displays inter-molecular O-H?O hydrogen bonding, generating centrosymmetric dimers.

SUBMITTER: Tang Z

PROVIDER: S-EPMC2969815 | biostudies-other | 2009

REPOSITORIES: biostudies-other

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1-(4-tert-Butyl-benz-yl)-3-phenyl-1H-pyrazole-5-carboxylic acid.

Tang Zheng Z Ding Xiao-Ling XL Xie Yong-Sheng YS Zhao Bao-Xiang BX

Acta crystallographica. Section E, Structure reports online 20090514 Pt 6

In the title compound, C(21)H(22)N(2)O(2), 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-butyl-benzyl rings. The carboxylate group is inclined at 8.51 (14)° with respect to the pyrazole ring. The crystal structure displays inter-molecular O-H⋯O hydrogen bonding, generating centrosymmetric dimers. ...[more]

PMID: 21583135

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