4-Hydr­oxy-3-meth­oxy-5-nitro­aceto­phenone (5-nitro­apocynin)

The title mol­ecule, C(9)H(9)NO(5), is close to planar (r.m.s. deviation from the mean plane of the non-H atoms = 0.058 Å). The OH group forms a bifurcated O—H⋯(O,O) hydrogen bond, with the intra­molecular component to a nitro O atom and the inter­molecular component to a keto O atom, the latter res...

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Detalles Bibliográficos
Autores principales: Babu, Sainath, Raghavamenon, Achuthan C., Fronczek, Frank R., Uppu, Rao M.
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2009
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969931/
https://www.ncbi.nlm.nih.gov/pubmed/21577684
http://dx.doi.org/10.1107/S160053680903390X
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author Babu, Sainath
Raghavamenon, Achuthan C.
Fronczek, Frank R.
Uppu, Rao M.
author_facet Babu, Sainath
Raghavamenon, Achuthan C.
Fronczek, Frank R.
Uppu, Rao M.
author_sort Babu, Sainath
collection PubMed
description The title mol­ecule, C(9)H(9)NO(5), is close to planar (r.m.s. deviation from the mean plane of the non-H atoms = 0.058 Å). The OH group forms a bifurcated O—H⋯(O,O) hydrogen bond, with the intra­molecular component to a nitro O atom and the inter­molecular component to a keto O atom, the latter resulting in chains along [20[Image: see text]]. A C—H⋯O inter­action reinforces the packing.
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spelling pubmed-29699312010-12-30 4-Hydr­oxy-3-meth­oxy-5-nitro­aceto­phenone (5-nitro­apocynin) Babu, Sainath Raghavamenon, Achuthan C. Fronczek, Frank R. Uppu, Rao M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title mol­ecule, C(9)H(9)NO(5), is close to planar (r.m.s. deviation from the mean plane of the non-H atoms = 0.058 Å). The OH group forms a bifurcated O—H⋯(O,O) hydrogen bond, with the intra­molecular component to a nitro O atom and the inter­molecular component to a keto O atom, the latter resulting in chains along [20[Image: see text]]. A C—H⋯O inter­action reinforces the packing. International Union of Crystallography 2009-08-29 /pmc/articles/PMC2969931/ /pubmed/21577684 http://dx.doi.org/10.1107/S160053680903390X Text en © Babu et al. 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
Babu, Sainath
Raghavamenon, Achuthan C.
Fronczek, Frank R.
Uppu, Rao M.
4-Hydr­oxy-3-meth­oxy-5-nitro­aceto­phenone (5-nitro­apocynin)
title 4-Hydr­oxy-3-meth­oxy-5-nitro­aceto­phenone (5-nitro­apocynin)
title_full 4-Hydr­oxy-3-meth­oxy-5-nitro­aceto­phenone (5-nitro­apocynin)
title_fullStr 4-Hydr­oxy-3-meth­oxy-5-nitro­aceto­phenone (5-nitro­apocynin)
title_full_unstemmed 4-Hydr­oxy-3-meth­oxy-5-nitro­aceto­phenone (5-nitro­apocynin)
title_short 4-Hydr­oxy-3-meth­oxy-5-nitro­aceto­phenone (5-nitro­apocynin)
title_sort 4-hydr­oxy-3-meth­oxy-5-nitro­aceto­phenone (5-nitro­apocynin)
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2969931/
https://www.ncbi.nlm.nih.gov/pubmed/21577684
http://dx.doi.org/10.1107/S160053680903390X
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AT fronczekfrankr 4hydroxy3methoxy5nitroacetophenone5nitroapocynin
AT uppuraom 4hydroxy3methoxy5nitroacetophenone5nitroapocynin

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