rac-1-(Furan-2-ylmethyl)-N-nitro-5-(oxolan-2-ylmethyl)-1,3,5-triazinan-2-imine

In the title compound C13H19N5O4, which belongs to the insecticidally active neonicotinoid group of compounds, the triazane ring exhibits a half-chair conformation. The large discrepancy between the two nitro O—N—N bond angles [116.1 (2) and 123.98&#...

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Bibliographic Details
Main Authors: Hong-Fei Bu, Xu-Bo Ma, Chuan-Wen Sun
Format: Article
Language:English
Published: International Union of Crystallography 2010-10-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536810036561
Description
Summary:In the title compound C13H19N5O4, which belongs to the insecticidally active neonicotinoid group of compounds, the triazane ring exhibits a half-chair conformation. The large discrepancy between the two nitro O—N—N bond angles [116.1 (2) and 123.98 (19)°] may be attributed to intramolecular N—H...O hydrogen bonding involving one of the nitro O atoms as the acceptor. The delocalization of the electrons extends as far as the nitro group, forming coplanar π-electron networks. In the crystal, inversion dimers lined by pairs of N—H...O hydrogen bonds occur.
ISSN:1600-5368