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2-[(2,6-二甲基苯基)肼基]-3-氧代丁酸乙酯

Ethyl 2-[(2,6-dimethyl-phen-yl)hydrazono]-3-oxobutanoate.

作者信息

Fun Hoong-Kun, Jebas Samuel Robinson, Padaki Mahesh, Hegde Chitrakar, Isloor Arun M

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 10;65(Pt 7):o1541-2. doi: 10.1107/S160053680902131X.

Abstract

The title compound, C(14)H(18)N(2)O(3), crystallizes with two independent mol-ecules in the asymmetric unit, having closely comparable geometries. Both mol-ecules are essentially planar [maximum deviations from the mean plane of 0.069 (1) and 0.068 (1) Å for the two mol-ecules] and contain an intra-molecular N-H⋯O hydrogen bond which generates a ring with graph-set motif S(6). In the crystal, the mol-ecules are linked into chains along the c axis by inter-molecular C-H⋯O hydrogen bonds, and inter-molecular C-H⋯π inter-actions are also present.

摘要

标题化合物C(14)H(18)N(2)O(3)在不对称单元中结晶出两个独立的分子,它们具有相近的几何结构。两个分子基本呈平面状[两个分子相对于平均平面的最大偏差分别为0.069 (1) Å和0.068 (1) Å],并且都含有一个分子内N-H⋯O氢键,该氢键形成了一个具有S(6)图形集 motif的环。在晶体中,分子通过分子间C-H⋯O氢键沿c轴连接成链,并且还存在分子间C-H⋯π相互作用。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/9657/2969439/8687acd1c9b3/e-65-o1541-fig1.jpg

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