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Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate
The title compound, C(17)H(15)NO(5), adopts an E conformation with respect to the C=C double bond of the phenylacrylate unit. The phenyl ring and methyl acrylate group of the phenylacrylate unit are disordered over two sets of sites with site-occupancy ratios of 0.705 (5):0.295 (5) and 0.683 (3):0...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379335/ https://www.ncbi.nlm.nih.gov/pubmed/22719533 http://dx.doi.org/10.1107/S1600536812021009 |
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author | Anuradha, T. Devaraj, A. Seshadri, P. R. Bakthadoss, M. |
author_facet | Anuradha, T. Devaraj, A. Seshadri, P. R. Bakthadoss, M. |
author_sort | Anuradha, T. |
collection | PubMed |
description | The title compound, C(17)H(15)NO(5), adopts an E conformation with respect to the C=C double bond of the phenylacrylate unit. The phenyl ring and methyl acrylate group of the phenylacrylate unit are disordered over two sets of sites with site-occupancy ratios of 0.705 (5):0.295 (5) and 0.683 (3):0.317 (3), respectively. The mean plane through the benzene ring of the phenyl acrylate makes dihedral angles of 88.4 (8) (major component) and 86.7 (8)° (minor component) with the nitrophenoxy ring; the dihedral angle between the two components is 3.64 (6)°. Intramolecular C—H⋯O interactions stabilise the molecular structure. In the crystal, C—H⋯O interactions result in a chain of molecules running along the b axis. |
format | Online Article Text |
id | pubmed-3379335 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33793352012-06-20 Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate Anuradha, T. Devaraj, A. Seshadri, P. R. Bakthadoss, M. Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(17)H(15)NO(5), adopts an E conformation with respect to the C=C double bond of the phenylacrylate unit. The phenyl ring and methyl acrylate group of the phenylacrylate unit are disordered over two sets of sites with site-occupancy ratios of 0.705 (5):0.295 (5) and 0.683 (3):0.317 (3), respectively. The mean plane through the benzene ring of the phenyl acrylate makes dihedral angles of 88.4 (8) (major component) and 86.7 (8)° (minor component) with the nitrophenoxy ring; the dihedral angle between the two components is 3.64 (6)°. Intramolecular C—H⋯O interactions stabilise the molecular structure. In the crystal, C—H⋯O interactions result in a chain of molecules running along the b axis. International Union of Crystallography 2012-05-16 /pmc/articles/PMC3379335/ /pubmed/22719533 http://dx.doi.org/10.1107/S1600536812021009 Text en © Anuradha 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 Anuradha, T. Devaraj, A. Seshadri, P. R. Bakthadoss, M. Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate |
title | Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate |
title_full | Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate |
title_fullStr | Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate |
title_full_unstemmed | Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate |
title_short | Methyl (E)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate |
title_sort | methyl (e)-2-[(2-nitrophenoxy)methyl]-3-phenylacrylate |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3379335/ https://www.ncbi.nlm.nih.gov/pubmed/22719533 http://dx.doi.org/10.1107/S1600536812021009 |
work_keys_str_mv | AT anuradhat methyle22nitrophenoxymethyl3phenylacrylate AT devaraja methyle22nitrophenoxymethyl3phenylacrylate AT seshadripr methyle22nitrophenoxymethyl3phenylacrylate AT bakthadossm methyle22nitrophenoxymethyl3phenylacrylate |