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4-[(2-氯苯基)重氮基]-6-甲氧基-2-[[三(羟甲基)甲基]氨基亚甲基]环己-3,5-二烯-1(2H)-酮

4-[(2-Chlorophenyl)diazenyl]-6-methoxy-2-[[tris(hydroxymethyl)methyl]aminomethylene]cyclohexa-3,5-dien-1(2H)-one.

作者信息

Ersanli Cem Cüneyt, Albayrak Cigdem, Odabaşoglu Mustafa, Thöne Carsten, Erdönmez Ahmet

机构信息

Department of Physics, Faculty of Arts and Sciences, Ondokuz Mayis University, 55139 Kurupelit Samsun, Turkey.

出版信息

Acta Crystallogr C. 2004 Feb;60(Pt 2):o133-5. doi: 10.1107/S010827010302941X. Epub 2004 Jan 17.

DOI:10.1107/S010827010302941X
PMID:14767137
Abstract

The structure of the title compound, C(18)H(20)ClN(3)O(5), displays the characteristic features of azobenzene derivatives. Intramolecular N-H.O, weak intramolecular C-H.O, and intermolecular O-H.O and C-H.O interactions influence the conformation of the molecules and the crystal packing. Intermolecular hydrogen bonds link the molecules into infinite chains, and the title compound adopts the keto-amine tautomeric form. The azobenzene moiety of the molecule has a trans configuration. The molecule is not planar, and the dihedral angle between the two phenyl rings is 35.6 (2) degrees.

摘要

标题化合物C(18)H(20)ClN(3)O(5)的结构展现出偶氮苯衍生物的特征。分子内N-H.O、弱分子内C-H.O以及分子间O-H.O和C-H.O相互作用影响分子的构象和晶体堆积。分子间氢键将分子连接成无限链,且标题化合物采用酮胺互变异构形式。分子的偶氮苯部分具有反式构型。分子不是平面的,两个苯环之间的二面角为35.6(2)度。

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