四层[3.3](3,5)吡啶烷的晶体结构。

IF 0.9

Acta crystallographica. Section E, Structure reports online Pub Date : 2014-10-31 eCollection Date: 2014-11-01 DOI:10.1107/S1600536814023691

Masahiko Shibahara, Motonori Watanabe, Taisuke Matsumoto, Kenta Goto, Teruo Shinmyozu

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引用次数: 0

摘要

标题化合物C40H46N2{系统名称:12,30-二氮杂-七环[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do-tetra-conta-1(37)，5(40)，6(41)，10(42)，11,13,18,23,28,30,32(39)，36(38)-十二烯}具有同反同的几何结构，其中两个外部的[3.3]间环(MCP)基团具有同反同的几何结构，并且分别以26.26(10)°和26.46(10)°的二面角包含面向苯环和吡啶环。中央[3.3]MCP单元的环不是平行的，而是以2.66(9)°的小角度定向。三个桥接甲基以0.60:0.40的比例在两组位点上无序化。在晶体中，分子间通过C-H⋯N相互作用和分子间C-H⋯π短接触连接，形成三维网络。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

Crystal structure of a four-layered [3.3](3,5)pyridino-phane.

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Crystal structure of a four-layered [3.3](3,5)pyridino-phane.

The title compound, C40H46N2 {systematic name: 12,30-di-aza-hepta-cyclo[21.13.1.1(5,19).1(6,18).1(10,14).1(24,36).1(28,32)]do-tetra-conta-1(37),5(40),6(41),10(42),11,13,18,23,28,30,32(39),36(38)-dodeca-ene}, has syn-anti-syn geometry wherein the two outer [3.3]meta-cyclo-phane (MCP) moieties have a syn geometry, and contain the facing benzene and pyridine rings at dihedral angles of 26.26 (10) and 26.46 (10)°, respectively. The rings of the central [3.3]MCP unit are not parallel, but orientated at a slight angle of 2.66 (9)°. Three bridging methyl-ene groups are disordered over two sets of sites in a 0.60:0.40 ratio. In the crystal, the mol-ecules are linked by C-H⋯N inter-actions and inter-molecular C-H⋯π short contacts, generating a three-dimensional network.

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来源期刊

Acta crystallographica. Section E, Structure reports online 化学-晶体学

自引率

33.30%

发文量

审稿时长

1.3 months

期刊介绍： Acta Crystallographica Section E: Structure Reports Online is the IUCr highly popular open-access structural journal. It provides a simple and easily accessible publication mechanism for the growing number of inorganic, metal-organic and organic crystal structure determinations. The electronic submission, validation, refereeing and publication facilities of the journal ensure very rapid and high-quality publication, whilst key indicators and validation reports provide measures of structural reliability. In 2009, the journal published over 4000 structures. The average publication time is less than one month.