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Crystal structure of (3E)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one

In the title compound, C(17)H(14)N(2)O(6), the conformation about the C=C double bond [1.345 (2) Å] is E, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral ang...

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Autores principales: Caracelli, Ignez, Maganhi, Stella H., Moran, Paulo J. S., de Paula, Bruno R. S., Delling, Felix N., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186202/
https://www.ncbi.nlm.nih.gov/pubmed/25309220
http://dx.doi.org/10.1107/S1600536814018819
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author Caracelli, Ignez
Maganhi, Stella H.
Moran, Paulo J. S.
de Paula, Bruno R. S.
Delling, Felix N.
Tiekink, Edward R. T.
author_facet Caracelli, Ignez
Maganhi, Stella H.
Moran, Paulo J. S.
de Paula, Bruno R. S.
Delling, Felix N.
Tiekink, Edward R. T.
author_sort Caracelli, Ignez
collection PubMed
description In the title compound, C(17)H(14)N(2)O(6), the conformation about the C=C double bond [1.345 (2) Å] is E, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 4.2 (2)°], whereas the one in the ortho position is twisted [O—N—C—C = 138.28 (13)°]. The mol­ecules associate via C—H⋯O inter­actions, involving both O atoms from the 2-nitro group, to form a helical supra­molecular chain along [010]. Nitro–nitro N⋯O inter­actions [2.8461 (19) Å] connect the chains into layers that stack along [001].
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spelling pubmed-41862022014-10-12 Crystal structure of (3E)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one Caracelli, Ignez Maganhi, Stella H. Moran, Paulo J. S. de Paula, Bruno R. S. Delling, Felix N. Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Data Reports In the title compound, C(17)H(14)N(2)O(6), the conformation about the C=C double bond [1.345 (2) Å] is E, with the ketone moiety almost coplanar [C—C—C—C torsion angle = 9.5 (2)°] along with the phenyl ring [C—C—C—C = 5.9 (2)°]. The aromatic rings are almost perpendicular to each other [dihedral angle = 86.66 (7)°]. The 4-nitro moiety is approximately coplanar with the benzene ring to which it is attached [O—N—C—C = 4.2 (2)°], whereas the one in the ortho position is twisted [O—N—C—C = 138.28 (13)°]. The mol­ecules associate via C—H⋯O inter­actions, involving both O atoms from the 2-nitro group, to form a helical supra­molecular chain along [010]. Nitro–nitro N⋯O inter­actions [2.8461 (19) Å] connect the chains into layers that stack along [001]. International Union of Crystallography 2014-08-23 /pmc/articles/PMC4186202/ /pubmed/25309220 http://dx.doi.org/10.1107/S1600536814018819 Text en © Caracelli et al. 2014 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
Caracelli, Ignez
Maganhi, Stella H.
Moran, Paulo J. S.
de Paula, Bruno R. S.
Delling, Felix N.
Tiekink, Edward R. T.
Crystal structure of (3E)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one
title Crystal structure of (3E)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one
title_full Crystal structure of (3E)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one
title_fullStr Crystal structure of (3E)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one
title_full_unstemmed Crystal structure of (3E)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one
title_short Crystal structure of (3E)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one
title_sort crystal structure of (3e)-3-(2,4-di­nitro­phen­oxy­meth­yl)-4-phenyl­but-3-en-2-one
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4186202/
https://www.ncbi.nlm.nih.gov/pubmed/25309220
http://dx.doi.org/10.1107/S1600536814018819
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