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1,3,5-三苯基全氢-1,3,5-三嗪-2,4,6-三酮在120 K时的正交晶系和单斜晶系多晶型物:由C-H...π(芳烃)氢键形成的链和片层

Orthorhombic and monoclinic polymorphs of 1,3,5-triphenylperhydro-1,3,5-triazine-2,4,6-trione at 120 K: chains and sheets formed by C-H...pi(arene) hydrogen bonds.

作者信息

Mariyatra M Baby, Panchanatheswaran Krishnaswamy, Low John N, Glidewell Christopher

机构信息

Department of Chemistry, Bharathidasan University, Tiruchirappalli, Tamil Nadu 620 024, India.

出版信息

Acta Crystallogr C. 2004 Sep;60(Pt 9):o682-5. doi: 10.1107/S0108270104017342. Epub 2004 Aug 21.

Abstract

The title compound, C21H15N3O3, crystallizes in two polymorphic forms. In the orthorhombic polymorph, (I), in space group Fdd2 with Z' = 1, the molecules lie in general positions, while in the monoclinic polymorph, (II), in space group C2/c with Z' = 1/2, the molecules lie across twofold rotation axes. In each polymorph, the molecules are linked by a single C-H.pi(arene) hydrogen bond, forming chains in polymorph (I) and sheets in (II).

摘要

标题化合物C21H15N3O3以两种多晶型形式结晶。在正交晶系多晶型物(I)中,空间群为Fdd2,Z' = 1,分子处于一般位置;而在单斜晶系多晶型物(II)中,空间群为C2/c,Z' = 1/2,分子位于二重旋转轴上。在每种多晶型物中,分子通过单个C-H.π(芳烃)氢键相连,在多晶型物(I)中形成链状结构,在(II)中形成层状结构。

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