Importance of O•••N interaction between nitro groups in crystals

被引：54

作者：

Daszkiewicz, Marek ^{[1
]}

机构：

[1] Polish Acad Sci, Inst Low Temp & Struct Res, PL-50950 Wroclaw, Poland

来源：

CRYSTENGCOMM | 2013年 / 15卷 / 48期

关键词：

ORTHOGONAL DIPOLAR INTERACTIONS; INTERMOLECULAR INTERACTIONS; ORGANIC FLUORINE; X-RAY;

D O I：

10.1039/c3ce41788c

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Perpendicular arrangement of two nitro groups of adjacent molecules was found in 104 structural fragments deposited in the Cambridge Structural Database. In the most cases, this non-hydrogen bonding O-NO2 center dot center dot center dot pi(N)NO2 interaction is shorter than 3 angstrom. Ab initio calculations of the interaction energy indicates the attractive nature of this interaction, comparable to the E-int of C-H center dot center dot center dot O.

引用

页码：10427 / 10430

页数：4

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