Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate

In the title compound, C(12)H(8)N(2)O(6), the 1,3-benzodioxole ring system is essentially planar [maximum deviation = 0.036 (2) Å] and the nitro group is oriented at a dihedral angle of 15.4 (1)° with respect to its mean plane. In the crystal, moleucles are linked into C(8) [101] chains by C—H⋯O hyd...

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Detalles Bibliográficos
Autores principales: Bakthadoss, M., Devaraj, A., Lakshmanan, D., Murugavel, S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515275/
https://www.ncbi.nlm.nih.gov/pubmed/23284495
http://dx.doi.org/10.1107/S1600536812043164
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author Bakthadoss, M.
Devaraj, A.
Lakshmanan, D.
Murugavel, S.
author_facet Bakthadoss, M.
Devaraj, A.
Lakshmanan, D.
Murugavel, S.
author_sort Bakthadoss, M.
collection PubMed
description In the title compound, C(12)H(8)N(2)O(6), the 1,3-benzodioxole ring system is essentially planar [maximum deviation = 0.036 (2) Å] and the nitro group is oriented at a dihedral angle of 15.4 (1)° with respect to its mean plane. In the crystal, moleucles are linked into C(8) [101] chains by C—H⋯O hydrogen bonds, and weak aromatic π–π stacking [centroid–centroid distance = 3.887 (1) Å] also occurs.
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spelling pubmed-35152752013-01-02 Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate Bakthadoss, M. Devaraj, A. Lakshmanan, D. Murugavel, S. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(12)H(8)N(2)O(6), the 1,3-benzodioxole ring system is essentially planar [maximum deviation = 0.036 (2) Å] and the nitro group is oriented at a dihedral angle of 15.4 (1)° with respect to its mean plane. In the crystal, moleucles are linked into C(8) [101] chains by C—H⋯O hydrogen bonds, and weak aromatic π–π stacking [centroid–centroid distance = 3.887 (1) Å] also occurs. International Union of Crystallography 2012-10-20 /pmc/articles/PMC3515275/ /pubmed/23284495 http://dx.doi.org/10.1107/S1600536812043164 Text en © Bakthadoss et al. 2012 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
Bakthadoss, M.
Devaraj, A.
Lakshmanan, D.
Murugavel, S.
Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate
title Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate
title_full Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate
title_fullStr Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate
title_full_unstemmed Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate
title_short Methyl (E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate
title_sort methyl (e)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acrylate
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3515275/
https://www.ncbi.nlm.nih.gov/pubmed/23284495
http://dx.doi.org/10.1107/S1600536812043164
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AT lakshmanand methyle2cyano36nitro13benzodioxol5ylacrylate
AT murugavels methyle2cyano36nitro13benzodioxol5ylacrylate

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