Stacking of six-membered aromatic rings in crystals

被引：212

作者：

Glówka, ML ^{[1
]}

Martynowski, D ^{[1
]}

Kozlowska, K ^{[1
]}

机构：

[1] Lodz Tech Univ, Inst Gen & Ecol Chem, PL-90924 Lodz, Poland

来源：

JOURNAL OF MOLECULAR STRUCTURE | 1999年 / 474卷

关键词：

stacking; stacking parameters; crystallographic restrictions on stacking; aromatic hydrocarbons;

D O I：

10.1016/S0022-2860(98)00562-6

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Geometrical preferences of stacking and the possibilities and limitations of using stacking in designing crystal structures have been analyzed, based on the crystal structures of benzenes, pyridines and s-triazines. It is shown that crystallographic symmetry imposes severe restrictions on stacking parameters and that alteration of the pi-electron distribution in the aromatic ring by incorporation of heteroatom(s) significantly increases the possibility of stacking. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：81 / 89

页数：9

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