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2-甲氧基-4-{[2-(4-硝基苯基)肼叉基]甲基}苯甲酸甲酯

Methyl 2-meth-oxy-4-{[2-(4-nitro-phen-yl)hydrazinyl-idene]meth-yl}benzoate.

作者信息

Zhao Zhen-Xin, Li He-Ping, Ma Bu-Wei

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Sep 30;66(Pt 10):o2661. doi: 10.1107/S160053681003802X.

DOI:10.1107/S160053681003802X
PMID:21587632
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2983317/
Abstract

The mol-ecule of the title Schiff base compound, C(16)H(15)N(3)O(5), obtained from a condensation reaction of 4-acet-oxy-3-meth-oxy-benzaldehyde and 4-nitro-phenyl-hydrazine, adopts an E geometry with respect to the C=N double bond. The mol-ecule is roughly planar, with the two benzene rings twisted slightly with respect to each other by a dihedral angle of 6.90 (9)°. In the crystal, inter-molecular N-H⋯O hydrogen bonds link centrosymmetrically related pairs of mol-ecules, forming dimers of R(2) (2)(22) graph-set motif. The dimers are further connected through slipped π-π inter-actions between symmetry-related benzene rings [centroid-centroid distance of 3.646 (1) Å, offset angle of 15.4°].

摘要

标题席夫碱化合物C(16)H(15)N(3)O(5)由4-乙酰氧基-3-甲氧基苯甲醛与4-硝基苯肼缩合反应制得，其分子中C=N双键呈E构型。分子大致呈平面状，两个苯环彼此略微扭曲，二面角为6.90 (9)°。在晶体中，分子间N-H⋯O氢键将中心对称相关的分子对连接起来，形成R(2) (2)(22)图式基序的二聚体。这些二聚体通过对称相关苯环之间的滑移π-π相互作用进一步相连[质心-质心距离为3.646 (1) Å，偏移角为15.4°]。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd9/2983317/fe1cb17a12f5/e-66-o2661-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd9/2983317/ebd59d26bfad/e-66-o2661-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd9/2983317/fe1cb17a12f5/e-66-o2661-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd9/2983317/ebd59d26bfad/e-66-o2661-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/6fd9/2983317/fe1cb17a12f5/e-66-o2661-fig2.jpg

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