二甲基3,3'-[(3-氟苯基)甲基]双-(1h -吲哚-2-羧酸酯)的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-29 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814025756

Xin-Hua Lu, Hong-Shun Sun, Jin Hu

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引用次数: 4

摘要

在标题化合物C27H21FN2O4中，两个吲哚环体系的平均平面(均方根偏差分别为0.0166和0.0086 Å)彼此近似垂直，形成的二面角为87.8(5)°;氟苯环相对于两个吲哚环体系的平均平面在82.7(5)°和85.5(3)°处扭曲。在晶体中，一对对N-H⋯O氢键将分子连接成倒置二聚体，这些二聚体进一步由N-H⋯O氢键连接成沿b轴方向传播的超分子链。邻链之间观察到弱C-H⋯π相互作用。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal structure of dimethyl 3,3'-[(3-fluoro-phenyl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

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Crystal structure of dimethyl 3,3'-[(3-fluoro-phenyl)methyl-ene]bis-(1H-indole-2-carboxyl-ate).

In the title compound, C27H21FN2O4, the mean planes of the two indole ring systems (r.m.s. deviations = 0.0166 and 0.0086 Å) are approximately perpendic-ular to one another, making a dihedral angle of 87.8 (5)°; the fluorobenzene ring is twisted with respect to the mean planes of the two indole ring systems at 82.7 (5) and 85.5 (3)°. In the crystal, pairs of N-H⋯O hydrogen bonds link the mol-ecules into the inversion dimers, which are further linked by N-H⋯O hydrogen bonds into supra-molecular chains propagating along the b-axis direction. Weak C-H⋯π inter-actions are observed between neighbouring chains.

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.