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(Z)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one
The title compound, C(11)H(12)O(3), is potentially a butane-2,3-dione derivative but exists in the enol form in the solid state. In the molecule, the 3-hydroxybut-3-en-2-one, benzene and methoxyl fragments are almost co-planar. The 3-hydroxybut-3-en-2-one fragment is almost planar with an r.m.s...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588538/ https://www.ncbi.nlm.nih.gov/pubmed/23476549 http://dx.doi.org/10.1107/S1600536813002262 |
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author | Fang, Wei Hu, Jun-Ping Wang, Mei Chen, Mu-Zi |
author_facet | Fang, Wei Hu, Jun-Ping Wang, Mei Chen, Mu-Zi |
author_sort | Fang, Wei |
collection | PubMed |
description | The title compound, C(11)H(12)O(3), is potentially a butane-2,3-dione derivative but exists in the enol form in the solid state. In the molecule, the 3-hydroxybut-3-en-2-one, benzene and methoxyl fragments are almost co-planar. The 3-hydroxybut-3-en-2-one fragment is almost planar with an r.m.s. deviation of 0.040 Å. The dihedral angle between this plane and that of the benzene ring is 5.88 (4)°. The 4-methoxy group also lies close to the benzene ring plane, with deviations of 0.0206 (11) Å for the O and 0.087 (2) Å for methyl C atoms. Hence, the whole molecule is almost planar with an r.m.s. deviation of 0.0617 Å from a plane through all 14 non-H atoms. In the crystal, the molecules are linked by O—H⋯O hydrogen bonds, generating [010] chains. |
format | Online Article Text |
id | pubmed-3588538 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-35885382013-03-08 (Z)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one Fang, Wei Hu, Jun-Ping Wang, Mei Chen, Mu-Zi Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(11)H(12)O(3), is potentially a butane-2,3-dione derivative but exists in the enol form in the solid state. In the molecule, the 3-hydroxybut-3-en-2-one, benzene and methoxyl fragments are almost co-planar. The 3-hydroxybut-3-en-2-one fragment is almost planar with an r.m.s. deviation of 0.040 Å. The dihedral angle between this plane and that of the benzene ring is 5.88 (4)°. The 4-methoxy group also lies close to the benzene ring plane, with deviations of 0.0206 (11) Å for the O and 0.087 (2) Å for methyl C atoms. Hence, the whole molecule is almost planar with an r.m.s. deviation of 0.0617 Å from a plane through all 14 non-H atoms. In the crystal, the molecules are linked by O—H⋯O hydrogen bonds, generating [010] chains. International Union of Crystallography 2013-02-09 /pmc/articles/PMC3588538/ /pubmed/23476549 http://dx.doi.org/10.1107/S1600536813002262 Text en © Fang et al. 2013 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 Fang, Wei Hu, Jun-Ping Wang, Mei Chen, Mu-Zi (Z)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one |
title | (Z)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one |
title_full | (Z)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one |
title_fullStr | (Z)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one |
title_full_unstemmed | (Z)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one |
title_short | (Z)-3-Hydroxy-4-(4-methoxyphenyl)but-3-en-2-one |
title_sort | (z)-3-hydroxy-4-(4-methoxyphenyl)but-3-en-2-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3588538/ https://www.ncbi.nlm.nih.gov/pubmed/23476549 http://dx.doi.org/10.1107/S1600536813002262 |
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