DDT Polymorphism and the Lethality of Crystal Forms

Document Type

Article

Publication Date

1-1-2017

Publication Title

Angewandte Chemie - International Edition

Volume

56

Issue

34

First page number:

10165

Last page number:

10169

Abstract

DDT (1,1,1-trichloro-2,2-bis(4-chlorophenyl)ethane), a contact insecticide with a rich and controversial history since its activity was discovered in 1939, has long been thought to be monomorphic. Herein we report the discovery and characterization of a second polymorph, designated Form II, which can be isolated as single crystals, but converts very slowly at room temperature to the form reported previously, now designated as Form I. Computations based on an evolutionary algorithm for crystal structure prediction revealed that Forms I and II are among the four lowest energy crystal structures of fifty calculated. A preliminary study of the contact insecticidal activity toward fruit flies (Drosophila melanogaster) indicates that Form II is more active, suggesting opportunities for more effective solid-state formulations that would allow reduced amounts of DDT, thereby minimizing environmental impact. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim

Language

english

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