<HashMap><database>biostudies-literature</database><scores/><additional><omics_type>Unknown</omics_type><volume>66(Pt 6)</volume><submitter>Sun CW</submitter><pubmed_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.</pubmed_abstract><journal>Acta crystallographica. Section E, Structure reports online</journal><pagination>o1457-8</pagination><full_dataset_link>https://www.ebi.ac.uk/biostudies/studies/S-EPMC2979404</full_dataset_link><repository>biostudies-literature</repository><pubmed_title>Ethyl 2-{3-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]-4-nitro-imino-1,3,5-triazinan-1-yl}acetate.</pubmed_title><pmcid>PMC2979404</pmcid><pubmed_authors>Yang DR</pubmed_authors><pubmed_authors>Zhu J</pubmed_authors><pubmed_authors>Sun CW</pubmed_authors><pubmed_authors>Jin J</pubmed_authors></additional><is_claimable>false</is_claimable><name>Ethyl 2-{3-[(2-chloro-1,3-thia-zol-5-yl)meth-yl]-4-nitro-imino-1,3,5-triazinan-1-yl}acetate.</name><description>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.</description><dates><release>2010-01-01T00:00:00Z</release><publication>2010 May</publication><modification>2025-04-26T21:39:01.319Z</modification><creation>2019-03-27T00:00:23Z</creation></dates><accession>S-EPMC2979404</accession><cross_references><pubmed>21579526</pubmed><doi>10.1107/S1600536810018878</doi></cross_references></HashMap>