Cargando…

(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...

Descripción completa

Detalles Bibliográficos
Autores principales: Fang, Wei, Hu, Jun-Ping, Wang, Mei, Chen, Mu-Zi
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
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
_version_ 1782261588640661504
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
work_keys_str_mv AT fangwei z3hydroxy44methoxyphenylbut3en2one
AT hujunping z3hydroxy44methoxyphenylbut3en2one
AT wangmei z3hydroxy44methoxyphenylbut3en2one
AT chenmuzi z3hydroxy44methoxyphenylbut3en2one