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2-烯丙氧基-5-硝基苯甲酸

2-All-yloxy-5-nitro-benzoic acid.

作者信息

Ferreira Valquiria B N, Fiedler Haidi D, Nome Faruk, Bortoluzzi Adailton J

机构信息

Depto. de Química-UFSC, 88040-900 Florianópolis, SC, Brazil.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1718. doi: 10.1107/S1600536809024179.

Abstract

The mol-ecule of the title compound, C(10)H(9)NO(5), is approximately planar, with the mean planes of the nitro, carboxyl and all-yloxy groups rotated by 8.1 (3), 7.9 (3) and 4.52 (18)°, respectively, from the plane of the benzene ring. Bond lengths in the aromatic ring are influenced by both electronic effects and strain induced by ortho-substitution. In the crystal structure, centrosymmetrically related mol-ecules are paired into dimers through strong O-H⋯O hydrogen bonds.

摘要

标题化合物C(10)H(9)NO(5)的分子近似平面状,硝基、羧基和烯丙氧基的平均平面相对于苯环平面分别旋转了8.1 (3)°、7.9 (3)°和4.52 (18)°。芳环中的键长受电子效应和邻位取代诱导的应变的共同影响。在晶体结构中,中心对称相关的分子通过强O-H⋯O氢键成对形成二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/12e2/2969386/69126cd1d208/e-65-o1718-fig1.jpg

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