2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl­idene]malononitrile

In the title compound, C(11)H(5)N(3)O(4), the nitro group is rotated by 29.91 (16)° out of the plane of the adjacent aryl ring. The 1,3-benzodioxole ring is nearly planar, with a maximium deviation of 0.0562 (10) Å. The dioxolene ring adopts an envelope conformation on the O—C—O C atom. In the cryst...

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Autores principales: Karthikeyan, S., Sethusankar, K., Devaraj, Anthonisamy, Bakthadoss, Manickam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239096/
https://www.ncbi.nlm.nih.gov/pubmed/22199944
http://dx.doi.org/10.1107/S1600536811049816
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author Karthikeyan, S.
Sethusankar, K.
Devaraj, Anthonisamy
Bakthadoss, Manickam
author_facet Karthikeyan, S.
Sethusankar, K.
Devaraj, Anthonisamy
Bakthadoss, Manickam
author_sort Karthikeyan, S.
collection PubMed
description In the title compound, C(11)H(5)N(3)O(4), the nitro group is rotated by 29.91 (16)° out of the plane of the adjacent aryl ring. The 1,3-benzodioxole ring is nearly planar, with a maximium deviation of 0.0562 (10) Å. The dioxolene ring adopts an envelope conformation on the O—C—O C atom. In the crystal, mol­ecules are linked via C—H⋯O inter­actions, resulting in R (2) (2)(6) and R (2) (2)(12) graph-set motifs.
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spelling pubmed-32390962011-12-23 2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl­idene]malononitrile Karthikeyan, S. Sethusankar, K. Devaraj, Anthonisamy Bakthadoss, Manickam Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(11)H(5)N(3)O(4), the nitro group is rotated by 29.91 (16)° out of the plane of the adjacent aryl ring. The 1,3-benzodioxole ring is nearly planar, with a maximium deviation of 0.0562 (10) Å. The dioxolene ring adopts an envelope conformation on the O—C—O C atom. In the crystal, mol­ecules are linked via C—H⋯O inter­actions, resulting in R (2) (2)(6) and R (2) (2)(12) graph-set motifs. International Union of Crystallography 2011-11-30 /pmc/articles/PMC3239096/ /pubmed/22199944 http://dx.doi.org/10.1107/S1600536811049816 Text en © Karthikeyan et al. 2011 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
Karthikeyan, S.
Sethusankar, K.
Devaraj, Anthonisamy
Bakthadoss, Manickam
2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl­idene]malononitrile
title 2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl­idene]malononitrile
title_full 2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl­idene]malononitrile
title_fullStr 2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl­idene]malononitrile
title_full_unstemmed 2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl­idene]malononitrile
title_short 2-[(6-Nitro-1,3-benzodioxol-5-yl)methyl­idene]malononitrile
title_sort 2-[(6-nitro-1,3-benzodioxol-5-yl)methyl­idene]malononitrile
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3239096/
https://www.ncbi.nlm.nih.gov/pubmed/22199944
http://dx.doi.org/10.1107/S1600536811049816
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