The crystal structure of 2-(4-bromophenyl)-4-(2-fluoroethyl)-5,6-dihydro-4 H -1,3,4-oxadiazine hydrochloride, an octopaminergic insecticide/miticide

The crystal structure of 2-(4-bromophenyl)-4-(2-fluoroethyl)-5,6-dihydro-4H-1,3,4-oxadiazine hydrochloride, a new octopamine agonist, has been established by Patterson and Fourier methods and refined to a final R value of 0.0293 for 2123 absorption-corrected observed data. The crystals are monoclini...

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Published inCanadian journal of chemistry Vol. 73; no. 6; pp. 853 - 857
Main Authors Dekeyser, Mark A., Harrison, W. Ashley, Taylor, Nicholas J., Downer, Roger G.H.
Format Journal Article
LanguageEnglish
Published 01.06.1995
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Summary:The crystal structure of 2-(4-bromophenyl)-4-(2-fluoroethyl)-5,6-dihydro-4H-1,3,4-oxadiazine hydrochloride, a new octopamine agonist, has been established by Patterson and Fourier methods and refined to a final R value of 0.0293 for 2123 absorption-corrected observed data. The crystals are monoclinic, a = 14.336(3), b = 12.649(3), c = 6.989(1) Å, β = 93.48(1)°, and the space group is P2 1 /c. Its structural similarities with the crystal structure of the invertebrate neurotransmitter, octopamine, are described and support the hypothesis that the pesticidal properties of dihydrooxadiazines are, at least partially, due to perturbation of octopaminergic systems. Keywords: dihydrooxadiazine, octopamine agonist.
ISSN:0008-4042
1480-3291
DOI:10.1139/v95-106