Issue 48, 2013

Importance of O⋯N interaction between nitro groups in crystals

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

Supplementary files

Article information

Article type
Communication
Submitted
05 Sep 2013
Accepted
09 Oct 2013
First published
10 Oct 2013

CrystEngComm, 2013,15, 10427-10430

Importance of O⋯N interaction between nitro groups in crystals

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

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