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Crystal structure of pymetrozine

descriptionPublicationkeyboard_double_arrow_right Article , Other literature type 10 Jun 2015Publisher:International Union of Crystallography (IUCr)Journal:Acta Crystallographica Section E Crystallographic Communications, volume 71, pages o461-o462 (eissn: 2056-9890,

Authors: Gihaeng Kang; Youngeun Jeon; Tae Ho Kim; Jineun Kim;

doi: 10.1107/s2056989015010804

pmid: 26279908

pmc: PMC4518907

Crystal structure of pymetrozine

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Abstract

The title compound, C10H11N5O {systematic name: 6-methyl-4-[(E)-(pyridin-3-ylmethylidene)amino]-4,5-dihydro-1,2,4-triazin-3(2H)-one}, C10H11N5O, is used as an antifeedant in pest control. The asymmetric unit comprises two independent molecules,AandB, in which the dihedral angles between the pyridinyl and triazinyl ring planes [r.m.s. deviations = 0.0132 and 0.0255 ] are 11.60 (6) and 18.06 (4)°, respectively. In the crystal, N—H...O, N—H...N, C—H...N and C—H...O hydrogen bonds, together with weak π–π interactions [ring-centroid separations = 3.5456 (9) and 3.9142 (9) Å], link the pyridinyl and triazinyl rings ofAmolecules, generating a three-dimensional network.

Related Organizations

University of Otago
New Zealand
Gyeongsang National University
Korea (Republic of)

Keywords

crystal structure, Crystallography, antifeedant, insecticide, pymetrozine, hydrogen bonding, Data Reports, QD901-999, π–π interactions, triazinone

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CCDC 1404941: Experimental Crystal Structure Determination
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