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丁烯-2-醛2,4-二硝基苯腙

But-2-enal 2,4-dinitro-phenyl-hydrazone.

作者信息

Yin Zhi-Gang, Qian Heng-Yu, Chen Yu-Zhen, Hu Jie

机构信息

Key Laboratory of Surface and Interface Science of Henan, School of Materials and Chemical Engineering, Zhengzhou University of Light Industry, Zhengzhou 450002, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2008 Oct 22;64(Pt 11):o2149. doi: 10.1107/S1600536808033254.

Abstract

In the title compound, C(10)H(10)N(4)O(4), the but-2-enal chain is almost planar, the largest deviation from the mean plane being 0.013 (1) Å, and this plane makes a dihedral angle of 9.95 (24)° with the benzene ring,. Of the two nitro groups, one is twisted with respect to the benzene ring, making a dihedral angle of 5.7 (1)°, whereas the other is nearly in the plane of the benzene ring, with a twist angle of only 0.7 (1)°. This difference is related to the occurence of an intra-molecular N-H⋯O hydrogen bond with the O atom of the less twisted nitro group. The NH group is also involved in a weak inter-action with the same O atom of a symmetry-related mol-ecule, thus forming a pseudo inversion dimer.

摘要

在标题化合物C(10)H(10)N(4)O(4)中,丁-2-烯醛链几乎是平面的,与平均平面的最大偏差为0.013 (1) Å,并且该平面与苯环形成9.95 (24)°的二面角。在两个硝基中,一个相对于苯环扭转,形成5.7 (1)°的二面角,而另一个几乎在苯环平面内,扭转角仅为0.7 (1)°。这种差异与分子内N-H⋯O氢键与扭转较小的硝基的O原子的存在有关。NH基团还与对称相关分子的同一个O原子存在弱相互作用,从而形成一个假反转二聚体。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/70fc/2959657/88e1ff57ab55/e-64-o2149-fig1.jpg

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