Issue 48, 2013
From the journal:

CrystEngComm

Importance of O⋯N interaction between nitro groups in crystals†‡

Marek Daszkiewicz*a  

* Corresponding authors

a Institute of Low Temperature and Structure Research, Polish Academy of Sciences, Okólna str. 2, P.O. Box 1410, 50-950 Wrocław, Poland
E-mail: m.daszkiewicz@int.pan.wroc.pl
Fax: +48 71 3441029
Tel: +48 71 3954145

Abstract

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 ONO2⋯π(N)NO2 interaction is shorter than 3 Å. Ab initio calculations of the interaction energy indicates the attractive nature of this interaction, comparable to the Eint of C–H⋯O.

Graphical abstract: Importance of O⋯N interaction between nitro groups in crystals

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Article information

DOI
https://doi.org/10.1039/C3CE41788C
Article type
Communication
Submitted
05 Sep 2013
Accepted
09 Oct 2013
First published
10 Oct 2013

CrystEngComm, 2013,15, 10427-10430

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Importance of O⋯N interaction between nitro groups in crystals

M. Daszkiewicz, CrystEngComm, 2013, 15, 10427 DOI: 10.1039/C3CE41788C

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