rac-1-(Furan-2-ylmeth-yl)-N-nitro-5-(oxolan-2-ylmeth-yl)-1,3,5-triazinan-2-imine.

Acta Crystallogr Sect E Struct Rep Online

Department of Chemistry, College of Life and Environmental Science, Shanghai Normal University, Shanghai 200234, People's Republic of China.

Published: September 2010

In the title compound C(13)H(19)N(5)O(4), 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 intra-molecular 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.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2983308PMC
http://dx.doi.org/10.1107/S1600536810036561DOI Listing

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