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4-Hy-droxy-3-[(4-hy-droxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thien-yl)meth-yl]-6-methyl-3,6-dihydro-2H-pyran-2-one.

ABSTRACT: The asymmetric unit of the title compound, C(17)H(14)O(6)S, contains four crystallographically independent mol-ecules in which the pyran-one 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 thio-phene rings is disordered over two positions, with an occupancy ratio of 0.739?(4):0.261?(4). The dihedral angles between the two pyran-one rings in the independent mol-ecules are 59.42?(8), 48.67?(8), 60.62?(9) and 51.60?(8)°. In the crystal, mol-ecules are linked through inter-molecular O-H?O and C-H?O hydrogen bonds, forming a three-dimensional network.

SUBMITTER: Asad M 

PROVIDER: S-EPMC3051638 | biostudies-literature | 2011 Jan

REPOSITORIES: biostudies-literature

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4-Hy-droxy-3-[(4-hy-droxy-6-methyl-2-oxo-3,6-dihydro-2H-pyran-3-yl)(3-thien-yl)meth-yl]-6-methyl-3,6-dihydro-2H-pyran-2-one.

Asad Mohammad M   Oo Chuan-Wei CW   Osman Hasnah H   Hemamalini Madhukar M   Fun Hoong-Kun HK  

Acta crystallographica. Section E, Structure reports online 20110126 Pt 2

The asymmetric unit of the title compound, C(17)H(14)O(6)S, contains four crystallographically independent mol-ecules in which the pyran-one 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 thio-phene rings is disordered over two positions, with an occupancy ratio of 0.739 (4):0.261 (4). The dihedral angles between the two pyran-one rings in the independent mol-ecules are 59.42 (8), 48  ...[more]

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