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1,3-双(2-乙氧基苯基)三氮烯

1,3-Bis(2-ethoxy-phen-yl)triazene.

作者信息

Rofouei Mohammad Kazem, Melardi Mohammad Reza, Salemi Yasaman, Kazemi Saba Razi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 11;65(Pt 4):o719. doi: 10.1107/S1600536809008034.

Abstract

The title compound, C(16)H(19)N(3)O(2), exhibits a trans geometry about the N=N double bond in the triazene unit in the solid state, and individual mol-ecules are close to planar with r.m.s. deviations from planarity of 0.065 Å and 0.242 Å for the two independent molecules in the asymmetric unit. Distinct inter-molecular N-H⋯N hydrogen bonds lead to the formation of dimers with an R(2) (2)(8) graph-set motif. The steric demands of the eth-oxy groups in the ortho position prevent a coplanar arrangement of the two mol-ecules in the dimers and these instead consist of two inter-locked mol-ecules that are related by a non-crystallographic pseudo-twofold rotation axis. Weak C-H⋯π inter-actions between the CH groups and the aromatic phenyl rings also occur.

摘要

标题化合物C(16)H(19)N(3)O(2)在固态时,三氮烯单元中N=N双键呈现反式构型,不对称单元中的两个独立分子接近平面,其相对于平面性的均方根偏差分别为0.065 Å和0.242 Å。独特的分子间N-H⋯N氢键导致形成具有R(2) (2)(8)图集模式的二聚体。邻位乙氧基的空间需求阻止了二聚体中两个分子的共面排列,相反,它们由通过非晶体学伪二次旋转轴相关的两个互锁分子组成。CH基团与芳族苯环之间也存在弱C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/2941/2969009/bc9458a93802/e-65-0o719-fig1.jpg

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