首页> 外文期刊>Acta crystallographica. Section C, Structural chemistry. >On substituted pyrazole derivatives. I. 3-Methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one and 3-methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5(4H)-one
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On substituted pyrazole derivatives. I. 3-Methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-(3-nitrophenyl)-1H-pyrazol-5(4H)-one and 3-methyl-4-[(Z)-2-(4-methylphenyl)hydrazin-1-ylidene]-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5(4H)-one

机译:在取代的吡唑衍生物上。 I. 3-甲基-4-[(Z)-2-(4-甲基苯基)肼-1-亚基] -1-(3-硝基苯基)-1H-吡唑-5(4H)-和3-甲基- 4-[(Z)-2-(4-甲基苯基)肼-1-基] -1- [4-(三氟甲基)苯基] -1H-吡唑-5(4H)-

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摘要

The title substituted pyrazole derivatives, C17H15N5O3 and C18H15F3N4O, share most of their molecular features, in particular the hydrazinylidene (–HN—N=) rather than the diazene (–N=N–) tautomeric form, and differ only in the substituents (NO2 and CF3) on one of the outer phenyl rings. The molecular units are basically planar, with the rotation of the phenyl rings being hindered by the presence of two intramolecular hydrogen bonds having the keto O atom as acceptor. In both structures, the packing is governed by weak C—H...O, C—H...π and π–π interactions. The subtle way in which minor structural differences lead to rather different supramolecular structures is analysed.
机译:标题为取代的吡唑衍生物C17H15N5O3和C18H15F3N4O具有大多数分子特征,尤其是苯亚二氢萘(–HN–N =)而不是重氮(–N = N–)互变异构形式,并且仅取代基(NO2和CF3)在一个外苯环上。分子单元基本上是平面的,由于存在两个以酮基O原子为受体的分子内氢键,苯环的旋转受到阻碍。在这两种结构中,堆积都是由弱CH-O ... CH,CH-π和π-π相互作用控制的。分析了微小的结构差异导致相当不同的超分子结构的微妙方式。

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