Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione

In the title compound, C(17)H(17)NO(4), the cylohexane-1,3-dione ring adopts an envelope conformation with the dimethyl-subsituted C atom as the flap. Its mean plane is inclined to the benzene ring by 7.99 (19)°. The mol­ecule has a trans conformation about the bridging C=C bonds of the ally­idene c...

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Autores principales: Lee, Jae Kyun, Min, Sun-Joon, Cho, Yong Seo, Kwon, Jang Hyuk, Park, Junghwan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Data Reports
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518916/
https://www.ncbi.nlm.nih.gov/pubmed/26279921
http://dx.doi.org/10.1107/S2056989015011172
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author Lee, Jae Kyun
Min, Sun-Joon
Cho, Yong Seo
Kwon, Jang Hyuk
Park, Junghwan
author_facet Lee, Jae Kyun
Min, Sun-Joon
Cho, Yong Seo
Kwon, Jang Hyuk
Park, Junghwan
author_sort Lee, Jae Kyun
collection PubMed
description In the title compound, C(17)H(17)NO(4), the cylohexane-1,3-dione ring adopts an envelope conformation with the dimethyl-subsituted C atom as the flap. Its mean plane is inclined to the benzene ring by 7.99 (19)°. The mol­ecule has a trans conformation about the bridging C=C bonds of the ally­idene chain. In the crystal, mol­ecules are linked via pairs of C—H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked by further C—H.·O hydrogen bonds, forming sheets lying parallel to (10-1).
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spelling pubmed-45189162015-08-14 Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione Lee, Jae Kyun Min, Sun-Joon Cho, Yong Seo Kwon, Jang Hyuk Park, Junghwan Acta Crystallogr E Crystallogr Commun Data Reports In the title compound, C(17)H(17)NO(4), the cylohexane-1,3-dione ring adopts an envelope conformation with the dimethyl-subsituted C atom as the flap. Its mean plane is inclined to the benzene ring by 7.99 (19)°. The mol­ecule has a trans conformation about the bridging C=C bonds of the ally­idene chain. In the crystal, mol­ecules are linked via pairs of C—H⋯O hydrogen bonds, forming inversion dimers. The dimers are linked by further C—H.·O hydrogen bonds, forming sheets lying parallel to (10-1). International Union of Crystallography 2015-06-13 /pmc/articles/PMC4518916/ /pubmed/26279921 http://dx.doi.org/10.1107/S2056989015011172 Text en © Lee et al. 2015 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 Data Reports
Lee, Jae Kyun
Min, Sun-Joon
Cho, Yong Seo
Kwon, Jang Hyuk
Park, Junghwan
Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione
title Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione
title_full Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione
title_fullStr Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione
title_full_unstemmed Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione
title_short Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione
title_sort crystal structure of (e)-5,5-dimethyl-2-[3-(4-nitro­phen­yl)allyl­idene]cyclo­hexane-1,3-dione
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4518916/
https://www.ncbi.nlm.nih.gov/pubmed/26279921
http://dx.doi.org/10.1107/S2056989015011172
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