同步x射线粉末衍射(Z)-1-(二茂铁乙炔基)-10-(苯基亚胺)-蒽-9(10H)- 1的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-11-26 eCollection Date: 2014-12-01 DOI:10.1107/S1600536814025252

Eiji Nishibori, Shinobu Aoyagi, Makoto Sakata, Ryota Sakamoto, Hiroshi Nishihara

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引用次数: 0

摘要

在标题化合物[Fe(C5H5)(C27H16NO)]中，设计和合成了一个新的电子给体(D)和受体(a)共轭配合物，两个环五二烯基环采用重叠构象。蒽三环扭曲成蝴蝶形，外苯环的平均平面彼此倾斜22.7(3)°。在晶体中，分子通过π-π相互作用配对成反转二聚体。弱分子间C-H⋯π相互作用进一步将这些二聚体沿b轴连接成一维柱，二茂铁乙基臂排列在堆叠之间以填充空隙。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

$Crystal structure of (Z)-1-(ferrocenylethyn-yl)-10-(phenyl-imino)-anthracen-9(10H)-one from synchrotron X-ray powder diffraction.$

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Crystal structure of (Z)-1-(ferrocenylethyn-yl)-10-(phenyl-imino)-anthracen-9(10H)-one from synchrotron X-ray powder diffraction.

In the title compound, [Fe(C5H5)(C27H16NO)], designed and synthesized to explore a new electron-donor (D) and -acceptor (A) conjugated complex, the two cyclo-penta-dienyl rings adopt an eclipsed conformation. The anthracene tricycle is distorted towards a butterfly conformation and the mean planes of the outer benzene rings are inclined each to other at 22.7 (3)°. In the crystal, mol-ecules are paired into inversion dimers via π-π inter-actions. Weak inter-molecular C-H⋯π inter-actions link further these dimers into one-dimensional columns along the b axis, with the ferrocenylethynyl arms arranged between the stacks to fill the voids.

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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.