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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...
Autores principales: | , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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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]. |
format | Online Article Text |
id | pubmed-4186202 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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