5-氨基-1-苯基-3-三氟甲基-1H-吡唑-4-羧酸
5-Amino-1-phenyl-3-trifluoro-methyl-1H-pyrazole-4-carboxylic acid.
作者信息
Caruso Francesco, Raimondi Maria Valeria, Daidone Giuseppe, Pettinari Claudio, Rossi Miriam
出版信息
Acta Crystallogr Sect E Struct Rep Online. 2009 Aug 15;65(Pt 9):o2173. doi: 10.1107/S1600536809032188.
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.
摘要
在标题化合物C₁₁H₈F₃N₃O₂中，不对称单元中有两个分子，其中苯环与吡唑环的二面角分别为65.3（2）°和85.6（2）°。在晶体中，分子对通过羧基之间的O—H⋯O氢键结合在一起，形成具有R₂²（8） motif的中心对称二聚体。分子内也存在N—H⋯O相互作用。
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