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

The title compound, C(2)H(8)N(+)·C(10)H(11)N(2)O(5) (−), 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– brid...

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Detalles Bibliográficos
Autor principal: Görbitz, Carl Henrik
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971071/
https://www.ncbi.nlm.nih.gov/pubmed/21578246
http://dx.doi.org/10.1107/S1600536809038677
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author Görbitz, Carl Henrik
author_facet Görbitz, Carl Henrik
author_sort Görbitz, Carl Henrik
collection PubMed
description The title compound, C(2)H(8)N(+)·C(10)H(11)N(2)O(5) (−), 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.
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spelling pubmed-29710712010-12-30 (RS)-Dimethyl­ammonium 2-sec-butyl-4,6-dinitro­phenolate Görbitz, Carl Henrik Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(2)H(8)N(+)·C(10)H(11)N(2)O(5) (−), 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. International Union of Crystallography 2009-10-03 /pmc/articles/PMC2971071/ /pubmed/21578246 http://dx.doi.org/10.1107/S1600536809038677 Text en © Carl Henrik Görbitz 2009 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Görbitz, Carl Henrik
(RS)-Dimethyl­ammonium 2-sec-butyl-4,6-dinitro­phenolate
title (RS)-Dimethyl­ammonium 2-sec-butyl-4,6-dinitro­phenolate
title_full (RS)-Dimethyl­ammonium 2-sec-butyl-4,6-dinitro­phenolate
title_fullStr (RS)-Dimethyl­ammonium 2-sec-butyl-4,6-dinitro­phenolate
title_full_unstemmed (RS)-Dimethyl­ammonium 2-sec-butyl-4,6-dinitro­phenolate
title_short (RS)-Dimethyl­ammonium 2-sec-butyl-4,6-dinitro­phenolate
title_sort (rs)-dimethyl­ammonium 2-sec-butyl-4,6-dinitro­phenolate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2971071/
https://www.ncbi.nlm.nih.gov/pubmed/21578246
http://dx.doi.org/10.1107/S1600536809038677
work_keys_str_mv AT gorbitzcarlhenrik rsdimethylammonium2secbutyl46dinitrophenolate

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