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5-Amino-1-phenyl-3-trifluoro-methyl-1H-pyrazole-4-carboxylic acid.

ABSTRACT: In the title compound, C(11)H(8)F(3)N(3)O(2), there are two mol-ecules in the asymmetric unit wherein the phenyl rings make dihedral angles of 65.3?(2) and 85.6?(2)° with the pyrazole rings. In the crystal, pairs of mol-ecules are held together by O-H?O hydrogen bonds between the carboxyl groups, forming a centrosymmetric dimer with an R(2) (2)(8) motif. Intra-molecular N-H?O inter-actions are also present.

SUBMITTER: Caruso F

PROVIDER: S-EPMC2970016 | biostudies-literature | 2009 Aug

REPOSITORIES: biostudies-literature

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5-Amino-1-phenyl-3-trifluoro-methyl-1H-pyrazole-4-carboxylic acid.

Caruso Francesco F Raimondi Maria Valeria MV Daidone Giuseppe G Pettinari Claudio C Rossi Miriam M

Acta crystallographica. Section E, Structure reports online 20090815 Pt 9

In the title compound, C(11)H(8)F(3)N(3)O(2), there are two mol-ecules in the asymmetric unit wherein the phenyl rings make dihedral angles of 65.3 (2) and 85.6 (2)° with the pyrazole rings. In the crystal, pairs of mol-ecules are held together by O-H⋯O hydrogen bonds between the carboxyl groups, forming a centrosymmetric dimer with an R(2) (2)(8) motif. Intra-molecular N-H⋯O inter-actions are also present. ...[more]

PMID: 21577579

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