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2-[(4-氯苯基)肼基]-3-氧代丁酸乙酯

Ethyl 2-[(4-chloro-phen-yl)hydrazono]-3-oxobutanoate.

作者信息

Fun Hoong-Kun, Chantrapromma Suchada, Padaki Mahesh, Isloor Arun M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Apr 10;65(Pt 5):o1029. doi: 10.1107/S1600536809012951.

DOI:10.1107/S1600536809012951
PMID:21583848
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC2977712/
Abstract

The mol-ecule of the title oxobutanoate derivative, C(12)H(13)ClN(2)O(3), is nearly planar; the inter-planar angle between the benzene ring and the mean plane through the hydrazono-3-oxobutanoate unit is 2.69 (3)°. An intra-molecular N-H⋯O hydrogen bond generates an S(6) ring motif. In the crystal packing, C-H⋯O(3-oxo) inter-actions link mol-ecules into dimers. The dimers thus formed are linked through C-H⋯O(carboxyl-ate C=O) inter-actions, leading to the formation of ribbons along the [01] direction, which are stabilized via Cl⋯Cl [3.2916 (3) Å] contacts. The ribbons are stacked via C⋯O contacts [3.2367 (12)-3.3948 (12) Å].

摘要

标题氧代丁酸酯衍生物C(12)H(13)ClN(2)O(3)的分子近乎平面;苯环与通过肼基-3-氧代丁酸酯单元的平均平面之间的面间角为2.69 (3)°。分子内N-H⋯O氢键产生一个S(6)环 motif。在晶体堆积中,C-H⋯O(3-氧代)相互作用将分子连接成二聚体。如此形成的二聚体通过C-H⋯O(羧酸盐C=O)相互作用连接,导致沿[01]方向形成带状结构,这些带状结构通过Cl⋯Cl [3.2916 (3) Å]接触得以稳定。这些带状结构通过C⋯O接触[3.2367 (12)-3.3948 (12) Å]堆积。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9631/2977712/396c7fcb336b/e-65-o1029-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9631/2977712/e16efb5c285b/e-65-o1029-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9631/2977712/396c7fcb336b/e-65-o1029-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9631/2977712/e16efb5c285b/e-65-o1029-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9631/2977712/396c7fcb336b/e-65-o1029-fig2.jpg

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