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4,4'-[亚乙基双(亚氨次甲基)]二苯甲腈

4,4'-[Ethylenebis(nitrilomethylidyne)]dibenzonitrile.

作者信息

Kia Reza, Fun Hoong-Kun, Kargar Hadi

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Mar 6;65(Pt 4):o682-3. doi: 10.1107/S1600536809007284.

DOI:10.1107/S1600536809007284
PMID:21582425
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2969074/
Abstract

The mol-ecule of the title Schiff base compound, C(18)H(14)N(4), lies across a crystallographic inversion centre and adopts an E configuration with respect to the azomethine (C=N) bonds. The imino groups are coplanar with the aromatic rings with a maximum deviation of 0.1574 (12) Å for the N atom. Within the mol-ecule, the planar units are parallel, but extend in opposite directions from the dimethyl-ene bridge. In the crystal structure, pairs of inter-molecular C-H⋯N hydrogen bonds link neighbouring mol-ecules into centrosymmetric dimers with R(2) (2)(10) ring motifs. An inter-esting feature of the crystal structure is the short inter-molecular C⋯C inter-action with a distance of 3.3821 (13) Å, which is shorter than the sum of the van der Waals radius of a carbon atom.

摘要

标题席夫碱化合物C(18)H(14)N(4)的分子位于一个晶体学反演中心上,且相对于偶氮甲碱(C=N)键采取E构型。亚氨基与芳环共平面,N原子的最大偏差为0.1574 (12) Å。在分子内,平面单元相互平行,但从亚甲基桥向相反方向延伸。在晶体结构中,分子间的C—H⋯N氢键对将相邻分子连接成具有R(2) (2)(10)环 motif的中心对称二聚体。晶体结构的一个有趣特征是分子间C⋯C相互作用较短,距离为3.3821 (13) Å,这比碳原子范德华半径之和还短。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26e5/2969074/7cc3925e162a/e-65-0o682-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26e5/2969074/db804a8d65a9/e-65-0o682-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26e5/2969074/7cc3925e162a/e-65-0o682-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26e5/2969074/db804a8d65a9/e-65-0o682-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/26e5/2969074/7cc3925e162a/e-65-0o682-fig2.jpg

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