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5-(4-氯-苯胺基亚甲基)-2,2-二甲基-1,3-二氧六环-4,6-二酮

5-(4-Chloro-anilinomethyl-ene)-2,2-dimethyl-1,3-dioxane-4,6-dione.

作者信息

Yang Jin-Cheng, Shi Jian-You, Luo You-Fu, Qiu Neng, Chen Li-Juan

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2009 Jun 27;65(Pt 7):o1706. doi: 10.1107/S1600536809023897.

Abstract

The title compound, C(13)H(12)ClNO(4), is approximately planar, with a dihedral angle of 8.23 (4)° between the mean plane of the amino-methyl-ene unit and the planar part of the dioxane ring. The dioxane ring has a half-boat conformation, in which the C atom between the dioxane O atoms is -0.464 (8) Å out of the plane of the other five atoms. In the mol-ecule there is an intra-molecular N-H⋯O hydrogen bond, involving the NH H atom and the adjacent dioxane carbonyl O atom. In the crystal, weak intermolecular C-H⋯O hydrogen-bonding contacts, result in the formation of sheets parallel to the ab plane.

摘要

标题化合物C(13)H(12)ClNO(4)近似呈平面结构,氨基亚甲基单元的平均平面与二氧六环环的平面部分之间的二面角为8.23 (4)°。二氧六环环具有半船式构象,其中二氧六环O原子之间的C原子偏离其他五个原子所在平面0.464 (8) Å。在分子中存在分子内N-H⋯O氢键,涉及NH H原子和相邻的二氧六环羰基O原子。在晶体中,弱的分子间C-H⋯O氢键接触导致形成平行于ab平面的片层。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/08ae/2969334/c9976dd846c1/e-65-o1706-fig1.jpg

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