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Ethyl 2-{3-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]-4-nitro-imino-1,3,5-triazinan-1-yl}acetate.

ABSTRACT: In the title compound, C(11)H(15)ClN(6)O(4)S, which belongs to the neonicotinoid class of insecticidally active heterocyclic compounds, the six-membered triazine ring adopts an opened envolope conformation. The planar nitro imine group [dihedral angle between nitro and imine groups = 1.07?(7)°] and the thia-zole ring are oriented at a dihedral angle of 69.62?(8)°. A classical intra-molecular N-H?O hydrogen bond is found in the mol-ecular structure. Moreover, one classical inter-molecular N-H?N and four non-classical C-H?O and C-H?N hydrogen bonds are also present in the crystal structure. Besides inter-molecular hydrogen bonds, the Cl atom forms an inter-molecular short contact [3.020?(2)?Å] with one of the nitro O atoms.

SUBMITTER: Sun CW 

PROVIDER: S-EPMC2979404 | biostudies-other | 2010

REPOSITORIES: biostudies-other

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Ethyl 2-{3-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]-4-nitro-imino-1,3,5-triazinan-1-yl}acetate.

Sun Chuan-Wen CW   Zhu Jun J   Jin Jia J   Yang Ding-Rong DR  

Acta crystallographica. Section E, Structure reports online 20100526 Pt 6

In the title compound, C(11)H(15)ClN(6)O(4)S, which belongs to the neonicotinoid class of insecticidally active heterocyclic compounds, the six-membered triazine ring adopts an opened envolope conformation. The planar nitro imine group [dihedral angle between nitro and imine groups = 1.07 (7)°] and the thia-zole ring are oriented at a dihedral angle of 69.62 (8)°. A classical intra-molecular N-H⋯O hydrogen bond is found in the mol-ecular structure. Moreover, one classical inter-molecular N-H⋯N a  ...[more]

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