Intermolecular C-H···O, Cl···Cl and π-π interactions in the 2-dichloromethyl derivative of vitamin K3.

IF 0.8 4区化学

Acta crystallographica. Section C, Crystal structure communications Pub Date : 2013-12-15 Epub Date: 2013-11-30 DOI:10.1107/S010827011303196X

Raffaella Soave, Pietro Colombo

引用次数: 1

Abstract

The title 1,4-naphthoquinone, 2-dichloromethyl-3-methyl-1,4-dihydronaphthalene-1,4-dione, C12H8Cl2O2, is a chlorinated derivative of vitamin K3, which is a synthetic compound also known as menadione. Molecules of (I) are planar and lie on a crystallographic mirror plane (Z' = 0.5) in the space group Pnma. They are connected to each other by C-H···O hydrogen bonds, forming two-dimensional layers parallel to the ac plane. In addition, Cl···Cl and π-π interactions link adjacent molecules in different layers, thus forming zigzag ribbons along the b axis, such that a three-dimensional architecture is generated.

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维生素K3 2-二氯甲基衍生物分子间C-H··O、Cl··Cl和π-π的相互作用

名称为1,4-萘醌，2-二氯甲基-3-甲基-1,4-二氢萘-1,4-二酮，C12H8Cl2O2，是维生素K3的氯化衍生物，它是一种合成化合物，也称为甲萘酮。(I)的分子是平面的，位于Pnma空间群中的晶体镜像平面(Z′= 0.5)上。它们通过C-H··O氢键相互连接，形成平行于ac平面的二维层。此外，Cl··Cl和π-π相互作用连接了不同层的相邻分子，从而沿b轴形成之字形带，从而生成三维结构。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Acta crystallographica. Section C, Crystal structure communications 化学-晶体学

自引率

12.50%

发文量

审稿时长

1 months

期刊介绍： Acta Crystallographica Section C: Structural Chemistry is continuing its transition to a journal that publishes exciting science with structural content, in particular, important results relating to the chemical sciences. Section C is the journal of choice for the rapid publication of articles that highlight interesting research facilitated by the determination, calculation or analysis of structures of any type, other than macromolecular structures. Articles that emphasize the science and the outcomes that were enabled by the study are particularly welcomed. Authors are encouraged to include mainstream science in their papers, thereby producing manuscripts that are substantial scientific well-rounded contributions that appeal to a broad community of readers and increase the profile of the authors.