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

ABSTRACT: 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 ?-electron networks. In the crystal, inversion dimers lined by pairs of N-H?O hydrogen bonds occur.

SUBMITTER: Sun CW 

PROVIDER: S-EPMC2983308 | biostudies-literature | 2010 Sep

REPOSITORIES: biostudies-literature

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

Sun Chuan-Wen CW   Ma Xu-Bo XB   Bu Hong-Fei HF  

Acta crystallographica. Section E, Structure reports online 20100918 Pt 10

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,  ...[more]

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