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Crystal structure of (5R)-5-[(1S)-1,2-di-hydroxy-eth-yl]-4-meth-oxy-3-phenyl-2,5-di-hydro-furan-2-one.

ABSTRACT: In the title compound, C13H14O5, the furan ring is essentially planar [maximum deviation = 0.031?(3)?Å] with a stereogenic center (R) at the sp (3) hybridized C atom. The C atom bearing the dihy-droxy ethyl group is S. The absolute configuration is based on the precursor in the synthesis. The two O-H groups are in an anti conformation with respect to each other. The mean plane of the furan-one group is twisted by 8.2?(4)° from that of the phenyl ring. In the crystal, mol-ecules are linked by O-H?O hydrogen bonds involving furan-one C=O groups and symmetry-related hy-droxy groups, forming a two-dimensional network parallel to (001). Weak C-H?O hydrogen bonds are observed within the two-dimensional network.

SUBMITTER: Kote SR

PROVIDER: S-EPMC4257168 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of (5R)-5-[(1S)-1,2-di-hydroxy-eth-yl]-4-meth-oxy-3-phenyl-2,5-di-hydro-furan-2-one.

Kote Santosh R SR Thopate Shankar R SR Gupta Sushil K SK Butcher Ray J RJ

Acta crystallographica. Section E, Structure reports online 20140930 Pt 10

In the title compound, C13H14O5, the furan ring is essentially planar [maximum deviation = 0.031 (3) Å] with a stereogenic center (R) at the sp (3) hybridized C atom. The C atom bearing the dihy-droxy ethyl group is S. The absolute configuration is based on the precursor in the synthesis. The two O-H groups are in an anti conformation with respect to each other. The mean plane of the furan-one group is twisted by 8.2 (4)° from that of the phenyl ring. In the crystal, mol-ecules are linked by O-H ...[more]

PMID: 25484718

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