(RS)-Dimethylammonium 2-sec-butyl-4,6-dinitrophenolate

The title compound, C2H8N+·C10H11N2O5−, is a highly toxic herbicide known as dinoseb. The sec-butyl group is disordered [occupancy ratio 0.828 (3):0.172 (3)], while the nitro group in the 6 position is twisted by 25° with respect to...

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Bibliographic Details
Main Author: Carl Henrik Görbitz
Format: Article
Language:English
Published: International Union of Crystallography 2009-11-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536809038677
Description
Summary:The title compound, C2H8N+·C10H11N2O5−, is a highly toxic herbicide known as dinoseb. The sec-butyl group is disordered [occupancy ratio 0.828 (3):0.172 (3)], while the nitro group in the 6 position is twisted by 25° with respect to the ring plane. Pairs of –O−...H—N+—H...−O– bridges between phenolic O atoms generate eight-membered hydrogen-bonded rings.
ISSN:1600-5368