Unknown

Dataset Information

0

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

Json Xml
altmetric image

Publications

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]

Similar Datasets

Unknown Ethyl 2-{(2Z)-2-[(1-naphthyl-sulfon-yl)imino]-2,3-dihydro-1,3-thia-zol-4-yl}acetate monohydrate.
| S-EPMC3009274 | biostudies-literature
Unknown 3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-5-methyl-1,3,5-oxadiazinan-4-one.
| S-EPMC3515215 | biostudies-literature
Unknown Ethyl 2-(4-chloro-2-oxo-2,3-dihydro-1,3-benzothia-zol-3-yl)acetate.
| S-EPMC2969022 | biostudies-literature
Unknown Ethyl 2-{3-[(6-chloro-pyridin-3-yl)meth-yl]-2-(nitro-imino)-imidazolidin-1-yl}acetate.
| S-EPMC3343957 | biostudies-literature
Unknown Dichloridobis[ethyl 2-(2-amino-1,3-thia-zol-4-yl)acetate-?(2)O,N(3)]cadmium.
| S-EPMC3379118 | biostudies-literature
Unknown {3-[(2-Chloro-1,3-thia-zol-4-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene-amino}-formonitrile.
| S-EPMC2983363 | biostudies-literature
Unknown 1-(2-Chloro-1,3-thia-zol-5-ylmeth-yl)-3,5-dimethyl-2-nitrimino-1,2,3,4,5,6-hexa-hydro-1,3,5-triazine.
| S-EPMC2915191 | biostudies-literature
Unknown 4-[(1,3-Thia-zol-2-yl)sulfamo-yl]phenyl 2,2,2-trifluoro-acetate.
| S-EPMC3344099 | biostudies-literature
Unknown (Z)-N-{3-[(2-Chloro-1,3-thia-zol-5-yl)meth-yl]-1,3-thia-zolidin-2-yl-idene}cyanamide.
| S-EPMC3238956 | biostudies-literature
Unknown 2-(4-Chloro-phen-yl)-N-(1,3-thia-zol-2-yl)acetamide.
| S-EPMC3435701 | biostudies-literature