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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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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2011
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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. |
format | Text |
id | pubmed-3089353 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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