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(E)-1-(5-Hy­droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one

The title compound, C(23)H(24)O(6), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angles between the benzopyran ring and the α,β-unsaturated ketone unit and between the α,β-unsaturated ketone group and the benzene ring are 9.4 (10) and 12.96 (13)°, respe...

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Autores principales: Wang, Guang-cheng, Yang, Ying-hong
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089353/
https://www.ncbi.nlm.nih.gov/pubmed/21754552
http://dx.doi.org/10.1107/S1600536811015236
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author Wang, Guang-cheng
Yang, Ying-hong
author_facet Wang, Guang-cheng
Yang, Ying-hong
author_sort Wang, Guang-cheng
collection PubMed
description The title compound, C(23)H(24)O(6), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angles between the benzopyran ring and the α,β-unsaturated ketone unit and between the α,β-unsaturated ketone group and the benzene ring are 9.4 (10) and 12.96 (13)°, respectively, in mol­ecule A and 1.40 (17) and 4.44 (17)°, respectively, in mol­ecule B. The two meth­oxy groups at the meta positions of the benzene ring are close to being coplanar with the ring [C—O—C—C = 6.2 (3) and −1.4 (3)° in mol­ecule A and −4.2 (4) and 3.7 (3)° in mol­ecule B], whereas the third meth­oxy group, at the para position, is (+)-anti­clinal with respect to the benzene ring [C—O—C—C = 81.7 (3)°] in mol­ecule A and is (−)-synclinal with respect to the benzene ring [C—O—C—C = −103.2 (3)°] in mol­ecule B. In both independent mol­ecules, the hy­droxy group is involved in an intra­molecular O—H⋯O hydrogen bond.
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spelling pubmed-30893532011-07-13 (E)-1-(5-Hy­droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one Wang, Guang-cheng Yang, Ying-hong Acta Crystallogr Sect E Struct Rep Online Organic Papers The title compound, C(23)H(24)O(6), crystallizes with two independent mol­ecules (A and B) in the asymmetric unit. The dihedral angles between the benzopyran ring and the α,β-unsaturated ketone unit and between the α,β-unsaturated ketone group and the benzene ring are 9.4 (10) and 12.96 (13)°, respectively, in mol­ecule A and 1.40 (17) and 4.44 (17)°, respectively, in mol­ecule B. The two meth­oxy groups at the meta positions of the benzene ring are close to being coplanar with the ring [C—O—C—C = 6.2 (3) and −1.4 (3)° in mol­ecule A and −4.2 (4) and 3.7 (3)° in mol­ecule B], whereas the third meth­oxy group, at the para position, is (+)-anti­clinal with respect to the benzene ring [C—O—C—C = 81.7 (3)°] in mol­ecule A and is (−)-synclinal with respect to the benzene ring [C—O—C—C = −103.2 (3)°] in mol­ecule B. In both independent mol­ecules, the hy­droxy group is involved in an intra­molecular O—H⋯O hydrogen bond. International Union of Crystallography 2011-04-29 /pmc/articles/PMC3089353/ /pubmed/21754552 http://dx.doi.org/10.1107/S1600536811015236 Text en © Wang and Yang 2011 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
Wang, Guang-cheng
Yang, Ying-hong
(E)-1-(5-Hy­droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one
title (E)-1-(5-Hy­droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one
title_full (E)-1-(5-Hy­droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one
title_fullStr (E)-1-(5-Hy­droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one
title_full_unstemmed (E)-1-(5-Hy­droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one
title_short (E)-1-(5-Hy­droxy-2,2-dimethyl-2H-chromen-6-yl)-3-(3,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one
title_sort (e)-1-(5-hy­droxy-2,2-dimethyl-2h-chromen-6-yl)-3-(3,4,5-trimeth­oxy­phen­yl)prop-2-en-1-one
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3089353/
https://www.ncbi.nlm.nih.gov/pubmed/21754552
http://dx.doi.org/10.1107/S1600536811015236
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