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4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2H-pyran-2-one
The asymmetric unit of the title compound, C(17)H(14)O(6)S, contains four crystallographically independent molecules in which the pyranone units are essentially planar, with maximum deviations of 0.016 (2), 0.019 (2), 0.025 (2), 0.014 (2), 0.020 (2), 0.010 (2), 0.003 (2) and 0.012 (2) Å. One of th...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2011
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051638/ https://www.ncbi.nlm.nih.gov/pubmed/21523150 http://dx.doi.org/10.1107/S1600536811002716 |
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author | Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Hemamalini, Madhukar Fun, Hoong-Kun |
author_facet | Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Hemamalini, Madhukar Fun, Hoong-Kun |
author_sort | Asad, Mohammad |
collection | PubMed |
description | The asymmetric unit of the title compound, C(17)H(14)O(6)S, contains four crystallographically independent molecules in which the pyranone units are essentially planar, with maximum deviations of 0.016 (2), 0.019 (2), 0.025 (2), 0.014 (2), 0.020 (2), 0.010 (2), 0.003 (2) and 0.012 (2) Å. One of the thiophene rings is disordered over two positions, with an occupancy ratio of 0.739 (4):0.261 (4). The dihedral angles between the two pyranone rings in the independent molecules are 59.42 (8), 48.67 (8), 60.62 (9) and 51.60 (8)°. In the crystal, molecules are linked through intermolecular O—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network. |
format | Text |
id | pubmed-3051638 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2011 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30516382011-04-26 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2H-pyran-2-one Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Hemamalini, Madhukar Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(17)H(14)O(6)S, contains four crystallographically independent molecules in which the pyranone units are essentially planar, with maximum deviations of 0.016 (2), 0.019 (2), 0.025 (2), 0.014 (2), 0.020 (2), 0.010 (2), 0.003 (2) and 0.012 (2) Å. One of the thiophene rings is disordered over two positions, with an occupancy ratio of 0.739 (4):0.261 (4). The dihedral angles between the two pyranone rings in the independent molecules are 59.42 (8), 48.67 (8), 60.62 (9) and 51.60 (8)°. In the crystal, molecules are linked through intermolecular O—H⋯O and C—H⋯O hydrogen bonds, forming a three-dimensional network. International Union of Crystallography 2011-01-26 /pmc/articles/PMC3051638/ /pubmed/21523150 http://dx.doi.org/10.1107/S1600536811002716 Text en © Asad et al. 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 Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Hemamalini, Madhukar Fun, Hoong-Kun 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2H-pyran-2-one |
title | 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2H-pyran-2-one |
title_full | 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2H-pyran-2-one |
title_fullStr | 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2H-pyran-2-one |
title_full_unstemmed | 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2H-pyran-2-one |
title_short | 4-Hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2H-pyran-2-one |
title_sort | 4-hydroxy-3-[(4-hydroxy-6-methyl-2-oxo-3,6-dihydro-2h-pyran-3-yl)(3-thienyl)methyl]-6-methyl-3,6-dihydro-2h-pyran-2-one |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3051638/ https://www.ncbi.nlm.nih.gov/pubmed/21523150 http://dx.doi.org/10.1107/S1600536811002716 |
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