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(E)-2,3-二甲基-N-(2-硝基亚苄基)苯胺

(E)-2,3-Dimethyl-N-(2-nitro-benzyl-idene)aniline.

作者信息

Tahir M Nawaz, Tariq Muhammad Ilyas, Ahmad Shahbaz, Sarfraz Muhammad, Ather Abdul Qayyum

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jun 26;66(Pt 7):o1817. doi: 10.1107/S1600536810024165.

DOI:10.1107/S1600536810024165
PMID:21588024
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3006792/
Abstract

In the title compound, C(15)H(14)N(2)O(2), the 2,3-dimethyl-anilinic and benzaldehyde groups are planar, with r.m.s. deviations of 0.0101 and 0.0241 Å, respectively, and are oriented at a dihedral angle of 11.69 (3)°. The nitro group is inclined to the benzaldehyde group by 34.02 (9)°. The mol-ecule adopts an E configuration about the C=N bond. In the crystal, mol-ecules are linked via C-H⋯O inter-actions, giving rise to the formation of zigzag polymeric chains extending along [010]. They are also linked by C-H⋯π, and π-π inter-actions [centroid-centroid distance of 3.7185 (11) Å] involving symmetry-related aniline and benzene rings. The H atoms of the ortho-methyl group are disordered over two sites with a refined occupancy ratio of 0.69 (2):0.31 (2).

摘要

在标题化合物C₁₅H₁₄N₂O₂中,2,3 - 二甲基苯胺基和苯甲醛基团是平面的,均方根偏差分别为0.0101和0.0241 Å,且二者呈11.69(3)°的二面角取向。硝基与苯甲醛基团呈34.02(9)°的倾斜角。分子围绕C=N键采取E构型。在晶体中,分子通过C—H⋯O相互作用连接,形成沿[010]方向延伸的锯齿状聚合物链。它们还通过C—H⋯π和π - π相互作用[质心 - 质心距离为3.7185(11) Å]相连,涉及对称相关的苯胺环和苯环。邻位甲基的H原子在两个位置上无序分布,精修占有率为0.69(2):0.31(2)。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ff8/3006792/f5f7e9e72742/e-66-o1817-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ff8/3006792/c11e8bd239da/e-66-o1817-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ff8/3006792/f5f7e9e72742/e-66-o1817-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ff8/3006792/c11e8bd239da/e-66-o1817-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/0ff8/3006792/f5f7e9e72742/e-66-o1817-fig2.jpg

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