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(Z)-3-甲基-4-[2-(4-甲基苯基)肼叉]-1-(五氟苯基)-1H-吡唑-5(4H)-酮中通过I型C-F···F-C接触连接的二聚体。

Dimers linked by type-I C-F···F-C contacts in (Z)-3-methyl-4-[2-(4-methylphenyl)hydrazinylidene]-1-(pentafluorophenyl)-1H-pyrazol-5(4H)-one.

作者信息

Alvarez-Thon Luis, Bustos Carlos, Espinoza-Santibañez Katherina, Garland Maria Teresa, Baggio Ricardo

机构信息

Departamento de Ciencias Físicas, Universidad Andrés Bello, República 220, Santiago de Chile, Chile.

出版信息

Acta Crystallogr C. 2013 Oct;69(Pt 10):1200-4. doi: 10.1107/S0108270113024943. Epub 2013 Sep 28.

Abstract

The title compound, C17H11F5N4O, is described and compared with two closely related analogues in the literature. There are two independent molecules in the asymmetric unit, linked by N-H···O hydrogen bonds and π-π interactions into dimeric entities, presenting a noticeable noncrystallographic C2 symmetry. These dimers are in turn linked by a medium-strength type-I C-F···F-C interaction into elongated tetramers. Much weaker C-H···F contacts link the tetramers into broad two-dimensional substructures parallel to (101).

摘要

标题化合物C₁₇H₁₁F₅N₄O已被描述,并与文献中两个密切相关的类似物进行了比较。不对称单元中有两个独立的分子,通过N-H···O氢键和π-π相互作用连接成二聚体实体,呈现出明显的非晶体学C₂对称性。这些二聚体又通过中等强度的I型C-F···F-C相互作用连接成细长的四聚体。弱得多的C-H···F接触将四聚体连接成平行于(101)的宽二维子结构。

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