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Synthesis and crystal structure of (±)-Goniotamirenone C.

ABSTRACT: The structure of the racemic version of the natural product Goniotamirenone C [racemic anti-6-(2-chloro-1-hy-droxy-2-phenyl-eth-yl)-2H-pyran-2-one, C₁₃H₁₁ClO₃] at 150 K is reported. The compound crystallizes with monoclinic (P2₁/n) symmetry and with Z' = 2. One independent mol-ecule is ordered while the other independent mol-ecule exhibits an inter-esting whole-mol-ecule enanti-omeric disorder with occupancies of 0.846 (4) and 0.154 (4). The independent mol-ecules are hydrogen bonded with -OH⋯O=C linkages into chains that run parallel to the a axis. This structural analysis corrects our previous assignment as the syn isomer [Meesakul et al. (2020 ▸). Phytochemistry, 171, 112248-112255].

SUBMITTER: Meesakul P

PROVIDER: S-EPMC7643229 | biostudies-literature | 2020 Nov

REPOSITORIES: biostudies-literature

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Synthesis and crystal structure of (±)-Goniotamirenone C.

Meesakul Pornphimol P Richardson Christopher C Laphookhieo Surat S Pyne Stephen G SG

Acta crystallographica. Section E, Crystallographic communications 20201009 Pt 11

The structure of the racemic version of the natural product Goniotamirenone C [racemic anti-6-(2-chloro-1-hy-droxy-2-phenyl-eth-yl)-2H-pyran-2-one, C13H11ClO3] at 150 K is reported. The compound crystallizes with monoclinic (P21/n) symmetry and with Z' = 2. One independent mol-ecule is ordered while the other independent mol-ecule exhibits an inter-esting whole-mol-ecule enanti-omeric disorder with occupancies of 0.84 ...[more]

PMID: 33209342

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