首页> 外文期刊>IUCrData >(5-Hy-dr-oxy-3-methyl-5-tri-fluoro-methyl-4,5-di-hydro-1H-pyrazol-1-yl)(2-hy-dr-oxy-phen-yl)methanone
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(5-Hy-dr-oxy-3-methyl-5-tri-fluoro-methyl-4,5-di-hydro-1H-pyrazol-1-yl)(2-hy-dr-oxy-phen-yl)methanone

机译:(5-Hy-dr-oxy-3-methyl-5-tri-fluoro-methyl-4,5-di-hydro-1H-pyrazol-1-yl)(2-hy-dr-oxy-phen-yl)甲酮

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摘要

In the title compound, C12H11F3N2O3, the hy-droxy-phenyl ring is twisted by 35.42?(11)° from the plane of the pyrazoline ring. The keto O atom is involved in two intra-molecular O—H?O hydrogen bonds, which generate?S(6) loops. As result, a weak intra-molecular C—H?N contact is formed, which generates an?S(7) ring motif. In the crystal, pairs of O—H?O hydrogen bonds link mol-ecules into inversion dimers with an?R22(16) motif. The dimers are linked by parallel-slipped?π–π?inter-actions [inter-centroid distance = 3.8438?(19)??], forming columns along the?c-axis direction.
机译:在标题化合物C12H11F3N2O3中,羟基苯环从吡唑啉环的平面扭曲35.42°(11)°。酮基O原子参与两个分子内O-H2O氢键,这些键会生成αS(6)环。结果,形成弱的分子内CH 3 N接触,其产生ΔS(7)环基序。在晶体中,成对的OH氢键将mol-ecules连接成具有ΔR22(16)图案的反向二聚体。二聚体通过平行滑动的π-π相互作用[质心间距离= 3.8438?(19)?]链接,沿c轴方向形成列。

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