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4-乙酰间苯二酚中的伴随多态性和构象异构现象。

Concomitant polymorphism and conformational isomerism in 4-acetylresorcinol.

作者信息

Jones Peter G, Mangalagiu Ionel I

机构信息

Institut für Anorganische und Analytische Chemie, Technische Universität Braunschweig, Postfach 3329, 38023 Braunschweig, Germany.

出版信息

Acta Crystallogr C. 2009 Jun;65(Pt 6):o300-2. doi: 10.1107/S0108270109017715. Epub 2009 May 16.

Abstract

Two polymorphs of the title compound [systematic name: 1-(2,4-dihydroxyphenyl)ethanone], C(8)H(8)O(3), were investigated. The known structure [designated (I-M); P2(1)/c, Z = 4; previously investigated at room temperature by Robert, Moore, Eichhorn & Rillema (2007). Acta Cryst. E63, o4252] was redetermined at low temperature, and a new form [(I-O); P2(1)2(1)2(1), Z = 12] was discovered in the same sample. In both forms, the molecules are planar (apart from the methyl H atoms) and they contain intramolecular O-H...O=C hydrogen bonds. In polymorph (I-M), molecules are linked into chains by a single intermolecular O-H...O hydrogen bond, and the chains are linked into sheets by two C-H...O hydrogen bonds. Three O-H...O hydrogen bonds link the molecules of polymorph (I-O) into chains and neighbouring chains are connected by one C-H...O interaction to form an offset layer structure. Two weak methyl C-H...O interactions link the layers.

摘要

对标题化合物[系统名称:1-(2,4-二羟基苯基)乙酮]C₈H₈O₃的两种多晶型物进行了研究。已知结构[指定为(I-M);P2(1)/c,Z = 4;先前由罗伯特、摩尔、艾希霍恩和里尔马于2007年在室温下进行过研究。《晶体学报》E63卷,o4252]在低温下重新测定,并且在同一样品中发现了一种新晶型[(I-O);P2(1)2(1)2(1),Z = 12]。在两种晶型中,分子都是平面的(除了甲基氢原子),并且它们包含分子内O-H...O=C氢键。在多晶型物(I-M)中,分子通过单个分子间O-H...O氢键连接成链,并且这些链通过两个C-H...O氢键连接成片。三个O-H...O氢键将多晶型物(I-O)的分子连接成链,相邻的链通过一个C-H...O相互作用连接形成一个交错层结构。两个弱的甲基C-H...O相互作用连接这些层。

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